SCHEMBL9185352

SCHEMBL9185352

COCC1CN(c2ccc3nc(C(CCC#N)N4CCCC4)sc3c2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
GRM2 Q14416 8/20 0.35
GRM5 P41594 3/20 0.35
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL3503314 0.87 GRM2 (0.37) F10GRM2GRM5MAOBMAOA
SCHEMBL3504084 0.87 GRM2 (0.37) F10GRM2GRM5MAOBMAOA
SCHEMBL9186218 0.87 GRM2 (0.37) GRM2GRM5MAOBMAOA
SCHEMBL3503318 0.87 GRM2 (0.37) F10GRM2GRM5MAOBMAOA
SCHEMBL3503313 0.87 GRM2 (0.37) F10GRM2GRM5MAOBMAOA
SCHEMBL3504083 0.87 GRM2 (0.37) F10GRM2GRM5MAOBMAOA
SCHEMBL3508402 0.85 GRM2 (0.38) F10GRM2GRM5MAOB
SCHEMBL8305067 0.82 GRM2 (0.39) F10GRM2GRM5MAOB
SCHEMBL3504921 0.81 GRM2 (0.39) GRM2GRM5MAOB
SCHEMBL3505659 0.81 GRM2 (0.39) GRM2GRM5MAOB

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-5475014-A Monoamine oxidase inhibor; antidepressant EISAI CO., LTD. (JP) 1995-12-12 US claimed