SCHEMBL8434265

SCHEMBL8434265

CC(CNCc1ccc(OCc2cccc(Br)c2)cc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.58
PARP10 Q53GL7 2/20 0.58
PARP14 Q460N5 1/20 0.58
MAOB P27338 4/20 0.55
MAOA P21397 2/20 0.54
SCN9A Q15858 1/20 0.54
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
ADAMTS4 O75173 1/20 0.51
MMP13 P45452 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
SCHEMBL8434242 0.87 GID4 (0.60) MAOBMAOASCN9A
SCHEMBL8431818 0.87 MAOB (0.72) PARP10MAOBMAOASCN9A
SCHEMBL8432752 0.80 MAOB (0.56) PARP10MAOBMAOASCN9AADAMTS4
SCHEMBL8433404 0.80 NPC1 (0.64) MAOBMAOA
SCHEMBL8434262 0.78 MAOB (0.58) PARP15PARP10PARP14MAOBMAOA
SCHEMBL5680071 0.78 PARP15 (0.58) PARP15PARP10PARP14MAOBMAOA
SCHEMBL3967573 0.77 PARP15 (0.60) PARP15PARP10PARP14MAOBMAOA
SCHEMBL8433725 0.76 SCN9A (0.72) PARP15PARP10PARP14MAOBMAOA
SCHEMBL6029226 0.76 FFAR1 (0.67) PARP15PARP10PARP14MAOBMAOA
SCHEMBL8434308 0.76 MAOB (0.64) PARP10MAOBMAOASCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US claimed
US-5945454-A 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives PHARMACIA & UPJOHN, S.P.A. (IT) 1999-08-31 US disclosed