SCHEMBL3584471

SCHEMBL3584471

Fc1ccc(CCNCc2ccc(C3CCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MCHR1 Q99705 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
LMNA P02545 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
MPO P05164 1/20 0.46
TAAR1 Q96RJ0 2/20 0.43
TRPV6 Q9H1D0 1/20 0.43

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
SCHEMBL9958082 0.94 L3MBTL1 (0.61) L3MBTL1KDM4EALDH1A1MCHR1CA12
SCHEMBL3573452 0.85 CA12 (0.51) KDM4ECA12CA1CA2CA4
SCHEMBL9958692 0.79 EPHX1 (0.38) L3MBTL1
SCHEMBL3576422 0.78 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL3577596 0.78 CA12 (0.54) L3MBTL1KDM4EMCHR1CA12CA1
SCHEMBL3573470 0.76 PARP1 (0.55) KDM4ETAAR1
SCHEMBL9958090 0.76 EPHX1 (0.40) L3MBTL1
SCHEMBL353495 0.76 ESR2 (0.47) CYP2D6CYP2C9CYP3A4
SCHEMBL5177159 0.75 CYP2D6 (0.52) CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL5177037 0.75 MEN1 (0.36) L3MBTL1MPOTAAR1

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-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
CN-101379022-B Benzamide and heteroarene derivatives HOFFMANN LA ROCHE 2013-05-01 CN disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed