SCHEMBL7707230

SCHEMBL7707230

O=C(COCc1ccccc1)N1CCN(c2ccc(N3CC(CNC(=S)C4CC4)OC3=O)cc2F)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.57
MAOB P27338 6/20 0.56
GRM5 P41594 2/20 0.54
MAOA P21397 3/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
CALML3 P27482 1/20 0.51
SDHA P31040 1/20 0.51

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
SCHEMBL7707227 1.00 F10 (0.57) F10MAOBGRM5MAOALMNA
SCHEMBL3392624 0.93 F10 (0.57) F10MAOBGRM5MAOALMNA
SCHEMBL7704352 0.92 MAOB (0.57) F10MAOBGRM5MAOALMNA
SCHEMBL7704353 0.92 MAOB (0.57) F10MAOBGRM5MAOALMNA
SCHEMBL7710118 0.91 F10 (0.57) F10MAOBGRM5MAOALMNA
SCHEMBL7710121 0.91 F10 (0.57) F10MAOBGRM5MAOALMNA
SCHEMBL7710192 0.91 GRM5 (0.46) F10MAOBGRM5MAOALMNA
SCHEMBL7710195 0.91 GRM5 (0.46) F10MAOBGRM5MAOALMNA
SCHEMBL7712749 0.91 F10 (0.56) F10MAOBGRM5MAOALMNA
SCHEMBL7712752 0.91 F10 (0.56) F10MAOBGRM5MAOALMNA

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