SCHEMBL7709983

SCHEMBL7709983

CC(C)C(=S)NC[C@H]1CN(c2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.45
ITGB3 P05106 5/20 0.44
PRSS1 P07477 5/20 0.44
PRSS2 P07478 5/20 0.44
ITGA2B P08514 5/20 0.44
PRSS3 P35030 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 1/20 0.42
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
MAOB P27338 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL7709988 1.00 F10 (0.45) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7709911 0.89 F10 (0.48) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7710529 0.89 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7712593 0.89 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7710525 0.89 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7709912 0.89 F10 (0.48) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6615317 0.89 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7712803 0.89 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7712596 0.89 F10 (0.47) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL7709942 0.88 MAOB (0.57) F10LMNAMAOAPTGS1MAOB

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