SCHEMBL2108718

SCHEMBL2108718

CCc1cccc(C=Cc2ccccc2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.50
NFE2L2 Q16236 3/20 0.43
TRPA1 O75762 2/20 0.43
CYP19A1 P11511 2/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
DHFR P00374 1/20 0.42
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
RELA Q04206 1/20 0.40
GRM4 Q14833 1/20 0.39
NR1I2 O75469 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL468924 0.83 CHAT (0.62) CHATNFE2L2TRPA1MAOBPTGER4
SCHEMBL16105737 0.83 CHAT (0.62) CHATNFE2L2TRPA1MAOBPTGER4
SCHEMBL6472671 0.83 CHAT (0.62) CHATNFE2L2TRPA1MAOBPTGER4
SCHEMBL6546307 0.81 CHAT (0.51) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL3314632 0.81 CHAT (0.51) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL6546138 0.81 CHAT (0.51) CHATNFE2L2TRPA1PTGER4PTGER3
SCHEMBL11428425 0.80 GABRA1 (0.39) MAOAMEN1KMT2A
SCHEMBL10775718 0.80 CHAT (0.48) CHATNFE2L2TRPA1CYP19A1MAOA
SCHEMBL30018391 0.79 GABRA1 (0.53) CHATNFE2L2TRPA1PTGER4PTGER3
Butane SCHEMBL28118780 0.79 NFE2L2 (0.43) CHATNFE2L2TRPA1CYP19A1MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 US disclosed
US-11191719-B2 Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration STI PHARMA, LLC (US) 2021-12-07 US disclosed
US-10463611-B2 Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration STI PHARMA, LLC (US) 2019-11-05 US disclosed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US disclosed
US-20140154313-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2014-06-05 US disclosed
EP-2717860-A1 CONTROLLED ABSORPTION WATER-SOLUBLE PHARMACEUTICALLY ACTIVE ORGANIC COMPOUND FORMULATION FOR ONCE-DAILY ADMINISTRATION STI Pharma, LLC (US) 2014-04-16 EP disclosed
WO-2012170676-A1 CONTROLLED ABSORPTION WATER-SOLUBLE PHARMACEUTICALLY ACTIVE ORGANIC COMPOUND FORMULATION FOR ONCE-DAILY ADMINISTRATION STI PHARMA, LLC (US) 2012-12-13 WO disclosed
US-8158152-B2 Preparing lyophilizates, especially those free of undesired extra components such as mono- or disaccharides; dosage forms of a wide variety of over 2000 drugs, such as rapidly dissolving tablets SCIDOSE LLC (US) 2012-04-17 US disclosed
US-7905852-B2 Skin-contacting-adhesive free dressing JENNINGS-SPRING BARBARA 2011-03-15 US disclosed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US disclosed
WO-2010024870-A1 SKIN-CONTACTING-ADHESIVE FREE DRESSING JENNINGS-SPRING BARBARA BROOKE (US) 2010-03-04 WO disclosed
US-20090005722-A1 Skin-contacting-adhesive free dressing JENNLNGS-SPRING BARBARA 2009-01-01 US disclosed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP disclosed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO disclosed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US disclosed