SCHEMBL8935396

SCHEMBL8935396

CN(C)C(=O)CC(N)Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.61
PARP10 Q53GL7 1/20 0.55
MAOA P21397 2/20 0.54
SCN9A Q15858 1/20 0.54
FFAR1 O14842 1/20 0.53
NR4A2 P43354 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
SCHEMBL8935239 0.86 MAOB (0.63) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL1534880 0.78 MAOB (0.69) MAOBPARP10MAOASCN9AFFAR1
Hydrochloric Acid SCHEMBL3501614 0.77 MAOB (0.60) MAOBPARP10MAOASCN9ANR4A2
Hydrochloric Acid SCHEMBL3499320 0.77 MAOB (0.60) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL8935372 0.77 MAOB (0.54) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL8935278 0.76 MAOB (0.60) MAOBMAOAFFAR1NR4A2
SCHEMBL8935251 0.76 MAOB (0.58) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL16552360 0.76 MAOB (1.00) MAOBMAOANR4A2
SCHEMBL22950617 0.75 EPHX1 (0.53) MAOA
SCHEMBL7512093 0.75 EPHX1 (0.53) MAOA

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-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed