SCHEMBL7709962

SCHEMBL7709962

COC(=S)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)COCc4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.48
F10 P00742 2/20 0.46
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
CALML3 P27482 1/20 0.44
SDHA P31040 1/20 0.44

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
SCHEMBL7709965 1.00 GRM5 (0.48) GRM5F10MAOBMAOALMNA
SCHEMBL7707437 0.93 GRM5 (0.49) GRM5F10MAOBMAOALMNA
SCHEMBL7707434 0.93 GRM5 (0.49) GRM5F10MAOBMAOALMNA
SCHEMBL7712749 0.92 F10 (0.56) GRM5F10MAOBMAOALMNA
SCHEMBL7712752 0.92 F10 (0.56) GRM5F10MAOBMAOALMNA
SCHEMBL7707118 0.92 GRM5 (0.46) GRM5F10MAOBMAOALMNA
SCHEMBL7707114 0.92 GRM5 (0.46) GRM5F10MAOBMAOALMNA
SCHEMBL8303867 0.91 MAOA (0.51) GRM5F10MAOBMAOALMNA
SCHEMBL8303868 0.91 MAOA (0.51) GRM5F10MAOBMAOALMNA
SCHEMBL7709998 0.91 GRM5 (0.45) GRM5F10MAOBMAOALMNA

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