SCHEMBL8935239

SCHEMBL8935239

NC(=O)CC(N)Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.63
PARP10 Q53GL7 1/20 0.63
MAOA P21397 3/20 0.58
SCN9A Q15858 1/20 0.58
NR4A2 P43354 1/20 0.57

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
SCHEMBL8935396 0.86 MAOB (0.61) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL7395944 0.85 MAOB (0.59) MAOBMAOA
SCHEMBL1534880 0.81 MAOB (0.69) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL8935436 0.79 SCN3A (0.61) MAOBPARP10SCN9A
Hydrochloric Acid SCHEMBL3499320 0.79 MAOB (0.60) MAOBPARP10MAOASCN9ANR4A2
Hydrochloric Acid SCHEMBL3501614 0.79 MAOB (0.60) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL4425874 0.79 MAOB (0.67) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL1534882 0.79 MAOB (0.67) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL4423295 0.78 MAOB (0.71) MAOBPARP10MAOASCN9ANR4A2
SCHEMBL4427972 0.78 MAOB (0.71) MAOBPARP10MAOASCN9ANR4A2

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