SCHEMBL7707240

SCHEMBL7707240

N#CCS(=O)(=O)N1CCN(c2ccc(N3CC(CNC(=S)C4CC4)OC3=O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.49
F2 P00734 3/20 0.49
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
MAOB P27338 1/20 0.44
HTR7 P34969 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7707237 1.00 F10 (0.49) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7712578 0.90 F10 (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7712575 0.90 F10 (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7707306 0.90 MAOB (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7707310 0.90 MAOB (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7707088 0.89 F10 (0.53) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7707085 0.89 F10 (0.53) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7712524 0.88 MAOB (0.59) F10MAOB
SCHEMBL7712526 0.88 MAOB (0.59) F10MAOB
SCHEMBL7707138 0.88 F10 (0.44) F10F2ITGB3ITGA2BPRSS1

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-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US claimed