SCHEMBL7955642

SCHEMBL7955642

CCC(=S)NC[C@H]1CN(c2ccc(N3CCSCC3)cc2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
F10 P00742 17/20 0.54
F2 P00734 1/20 0.50
ITGB3 P05106 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
ITGA2B P08514 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL7955643 1.00 MAOB (0.56) MAOBMAOAF10F2ITGB3
SCHEMBL7156712 0.89 MAOA (0.64) MAOBMAOAF10F2ITGB3
SCHEMBL7156723 0.89 MAOA (0.64) MAOBMAOAF10F2ITGB3
SCHEMBL7953650 0.88 MAOA (0.53) MAOBMAOAF10F2ITGB3
SCHEMBL7157299 0.87 MAOA (0.59) MAOBMAOAF10F2ITGB3
SCHEMBL7949971 0.87 F10 (0.57) MAOBMAOAF10F2ITGB3
SCHEMBL7157295 0.87 MAOA (0.59) MAOBMAOAF10F2ITGB3
SCHEMBL7949970 0.87 F10 (0.57) MAOBMAOAF10F2ITGB3
SCHEMBL8500683 0.87 MAOA (0.56) MAOBMAOAF10F2ITGB3
SCHEMBL8448606 0.87 MAOA (0.56) MAOBMAOAF10F2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US claimed