SCHEMBL3504083

SCHEMBL3504083

COC[C@H]1CN(c2ccc3nc([C@@H](O)CCC#N)sc3c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.37
GRM5 P41594 3/20 0.37
F10 P00742 1/20 0.35
CALML3 P27482 1/20 0.35
MAOB P27338 2/20 0.34
MAOA P21397 2/20 0.34

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 1.00 GRM2 (0.37) GRM2GRM5F10CALML3MAOB
SCHEMBL3503318 1.00 GRM2 (0.37) GRM2GRM5F10CALML3MAOB
SCHEMBL3504084 1.00 GRM2 (0.37) GRM2GRM5F10CALML3MAOB
SCHEMBL3503313 1.00 GRM2 (0.37) GRM2GRM5F10CALML3MAOB
SCHEMBL3508402 0.97 GRM2 (0.38) GRM2GRM5F10CALML3MAOB
SCHEMBL9186218 0.90 GRM2 (0.37) GRM2GRM5MAOBMAOA
SCHEMBL8305866 0.89 MAOB (0.38) GRM2GRM5CALML3MAOBMAOA
SCHEMBL9185352 0.87 F10 (0.36) GRM2GRM5F10MAOBMAOA
SCHEMBL8305251 0.86 MAOA (0.36) GRM2GRM5F10MAOBMAOA
SCHEMBL8305257 0.86 MAOA (0.36) GRM2GRM5F10MAOBMAOA

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 7 patents. 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
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed
US-20020168403-A1 Compositions and therapy for substance addiction BIBERMAN RONI (IL) 2002-11-14 US disclosed
US-20020019421-A1 Compositions and therapy for substance addiction BIBERMAN RONI (IL) 2002-02-14 US disclosed
EP-0609441-B1 Oxazolidone derivatives as monoamine oxidase inhibitors EISAI CO LTD (JP) 1999-07-21 EP disclosed
US-5475014-A Monoamine oxidase inhibor; antidepressant EISAI CO., LTD. (JP) 1995-12-12 US disclosed
EP-0609441-A1 OXAZOLIDONE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 EP disclosed