SCHEMBL5988062

SCHEMBL5988062

CC(C)(C(N)=O)c1cc(F)cc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.35
XDH P47989 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KCNN4 O15554 3/20 0.32
PTPN1 P18031 2/20 0.32
PARP1 P09874 2/20 0.32
PARP2 Q9UGN5 2/20 0.32
CA9 Q16790 1/20 0.31
MAOA P21397 2/20 0.31
TRPA1 O75762 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL5987781 0.83 MAP2K1 (0.33) SLC22A12XDHMAPTKDM4EPOLB
SCHEMBL5986530 0.79 CNR2 (0.41) MAPTKDM4EPOLBHSD17B10CA9
SCHEMBL24656012 0.79 TRPA1 (0.36) MAPTKDM4EHSD17B10PTPN1CA9
SCHEMBL5988546 0.75 TRPA1 (0.32) MAP2K1MAOATRPA1
Hydrochloric Acid SCHEMBL7789406 0.74 CNR2 (0.36) MAPTPOLBMAP2K1TSHR
Hydrochloric Acid SCHEMBL5987240 0.74 TRPA1 (0.31) MAP2K1MAOATRPA1
SCHEMBL30367823 0.72 PARP1 (0.43) SLC22A12XDHMAPTKDM4EPOLB
SCHEMBL25532204 0.72 TRPA1 (0.32) TRPA1
Hydrochloric Acid SCHEMBL28438885 0.71 PARP1 (0.44) SLC22A12XDHMAPTKDM4EPOLB
SCHEMBL5986973 0.70 P4HB (0.33) MAPTKDM4EPOLBHSD17B10TRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed