SCHEMBL7403760

SCHEMBL7403760

NC[C@H](Cc1ccc(Cc2ccccc2)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
PLA2G10 O15496 1/20 0.53
PLA2G2A P14555 1/20 0.53
EPHX1 P07099 1/20 0.50
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CPA3 P15088 3/20 0.47
CPA1 P15085 2/20 0.47
FOLH1 Q04609 1/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
ANPEP P15144 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL27310677 1.00 CYP1A2 (0.53) CYP1A2PLA2G10PLA2G2AEPHX1PPARG
SCHEMBL6609906 0.93 CYP1A2 (0.61) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL7353741 0.93 CYP1A2 (0.61) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL19532713 0.93 CYP1A2 (0.61) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL9515268 0.91 PLA2G10 (0.45) CYP1A2PLA2G10PLA2G2AEPHX1PPARG
SCHEMBL27318657 0.90 CYP1A2 (0.53) CYP1A2EPHX1PPARGPPARASLC1A3
SCHEMBL5052372 0.83 CYP1A2 (0.68) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL27320070 0.83 EPHX1 (0.47) CYP1A2EPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL27314001 0.82 PPARG (0.48) CYP1A2EPHX1PPARGPPARASLC1A3
SCHEMBL27309674 0.82 PARP10 (0.57) PPARGPPARALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027588-C Process for the preparation of N-phenylalkyl substituted alpha-aminocarboxamide derivatives ERBA CARLO SPA (IT) 1995-02-08 CN disclosed
EP-0426816-A1 N-PHENYLALKYL SUBSTITUTED $g(a)-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-15 EP disclosed
CN-1047496-A The preparation method of the alpha-amino group Carboxylamide derivatives that N-benzene alkyl replaces ERBA CARLO SPA (IT) 1990-12-05 CN disclosed
WO-1990014334-A1 N-PHENYLALKYL SUBSTITUTED α-AMINO CARBOXAMIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1990-11-29 WO disclosed