SCHEMBL7704196

SCHEMBL7704196

CC(C)C(=S)NCC1CN(c2ccc(N3CCN(S(=O)(=O)CC#N)CC3)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.43
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
HTR7 P34969 1/20 0.41
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.40
PTGS1 P23219 1/20 0.40
MAOB P27338 1/20 0.40
CALML3 P27482 1/20 0.40
SDHA P31040 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7704193 1.00 F10 (0.43) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7710529 0.91 F10 (0.47) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7710525 0.91 F10 (0.47) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7707306 0.90 MAOB (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7707310 0.90 MAOB (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7712553 0.88 MAOB (0.55) F10LMNAMAOAPTGS1MAOB
SCHEMBL7712556 0.88 MAOB (0.55) F10LMNAMAOAPTGS1MAOB
SCHEMBL7712578 0.88 F10 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7712575 0.88 F10 (0.46) F10ITGB3ITGA2BPRSS1PRSS2
SCHEMBL7707138 0.88 F10 (0.44) F10ITGB3ITGA2BPRSS1PRSS2

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