SCHEMBL7710098

SCHEMBL7710098

CC(C)C(=S)NCC1CN(c2ccc(N3CCN(C(=O)COCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
GRM5 P41594 3/20 0.53
MAOB P27338 7/20 0.53
MAOA P21397 4/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
CALML3 P27482 1/20 0.53
SDHA P31040 1/20 0.53

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
SCHEMBL7710094 1.00 F10 (0.54) F10GRM5MAOBMAOALMNA
SCHEMBL7704352 0.93 MAOB (0.57) F10GRM5MAOBMAOALMNA
SCHEMBL7704353 0.93 MAOB (0.57) F10GRM5MAOBMAOALMNA
SCHEMBL7712749 0.92 F10 (0.56) F10GRM5MAOBMAOALMNA
SCHEMBL7712752 0.92 F10 (0.56) F10GRM5MAOBMAOALMNA
SCHEMBL3392624 0.92 F10 (0.57) F10GRM5MAOBMAOALMNA
SCHEMBL7709998 0.91 GRM5 (0.45) F10GRM5MAOBMAOALMNA
SCHEMBL7710002 0.91 GRM5 (0.45) F10GRM5MAOBMAOALMNA
SCHEMBL7710118 0.91 F10 (0.57) F10GRM5MAOBMAOALMNA
SCHEMBL7710121 0.91 F10 (0.57) F10GRM5MAOBMAOALMNA

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