SCHEMBL6250063

SCHEMBL6250063

CCCCCCC(C)Cc1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
CSNK1E P49674 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
MME P08473 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
BDKRB2 P30411 4/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32

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
SCHEMBL16185939 1.00 DRD2 (0.40) DRD2DRD3CSNK1EACE2MME
SCHEMBL19646257 1.00 DRD2 (0.40) DRD2DRD3CSNK1EACE2MME
SCHEMBL19980930 0.85 DRD2 (0.46) DRD2DRD3ACE2TAAR1PTGES
SCHEMBL2570906 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1
SCHEMBL19150729 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1
SCHEMBL28293353 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1
SCHEMBL18750434 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1
SCHEMBL28293348 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1
SCHEMBL20972395 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1
SCHEMBL1436621 0.85 DRD2 (0.41) DRD2DRD3CSNK1EMMETAAR1

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-1088842-B1 OPTICALLY ACTIVE POLYTHIOPHENE JAPAN SCIENCE & TECH AGENCY (JP) 2005-09-07 EP disclosed
US-6878801-B2 Optically active polythiophenes JAPAN SCIENCE AND TECHNOLOGY (JP) 2005-04-12 US disclosed
US-20030135021-A1 Optically active polythiophenes FUJIKI MICHIYA (JP) 2003-07-17 US disclosed
EP-1088842-A1 OPTICALLY ACTIVE POLYTHIOPHENE Japan Science and Technology Corporation (JP) 2001-04-04 EP disclosed