SCHEMBL3675446

SCHEMBL3675446

CCC(N)Cc1ccccc1S

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
SLC6A4 P31645 3/20 0.40
EPHX1 P07099 1/20 0.37
ANPEP P15144 1/20 0.36
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL3072319 0.87 EPHX1 (0.48) HTR2ASLC6A4EPHX1ANPEPSLC6A2
SCHEMBL23420598 0.79 HTR2A (0.50) HTR2ASLC6A4SLC6A2TAAR1
SCHEMBL7513002 0.79 HTR2A (0.50) HTR2ASLC6A4EPHX1
SCHEMBL3672930 0.78 SLC6A2 (0.52) HTR2ASLC6A4SLC6A2TAAR1MAOA
SCHEMBL11654244 0.78 HTR2A (0.45) HTR2ASLC6A4SLC6A2TAAR1MAOA
SCHEMBL19712493 0.78 HTR2A (0.53) HTR2ASLC6A4EPHX1SLC6A2TAAR1
SCHEMBL23780015 0.78 SLC6A4 (0.52) HTR2ASLC6A4SLC6A2TAAR1SLC6A3
SCHEMBL9193881 0.77 MMP1 (0.35) SLC6A4SLC6A2TAAR1MAOASLC6A3
SCHEMBL7202017 0.73 HTR2A (0.49) HTR2A
SCHEMBL943149 0.73 GABRA1 (0.54) HTR2ASLC6A4SLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed