SCHEMBL4655397

SCHEMBL4655397

COc1ccc2cc(C(=O)Nc3ccc4c(ccn4C)c3)n(Cc3cccc(F)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
PPARG P37231 3/20 0.46
EPHX2 P34913 2/20 0.46
CCR2 P41597 2/20 0.44
ECE1 P42892 1/20 0.44
PTGER3 P43115 1/20 0.43
F10 P00742 2/20 0.43
CNR1 P21554 1/20 0.43
CCR9 P51686 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4655329 0.95 ECE1 (0.49) MAOBPPARGEPHX2CCR2ECE1
SCHEMBL4655292 0.91 MAOB (0.50) MAOBPPARGEPHX2CCR2ECE1
SCHEMBL4655350 0.90 CCR2 (0.51) MAOBPPARGCCR2ECE1PTGER3
SCHEMBL4655353 0.90 ABCB1 (0.48) MAOBPPARGEPHX2ECE1F10
SCHEMBL4656135 0.89 PPARG (0.53) PPARGF10CCR9MAPT
SCHEMBL4655318 0.89 ECE1 (0.51) MAOBPPARGEPHX2ECE1CNR1
SCHEMBL4656158 0.88 MAOB (0.46) MAOBPPARGEPHX2ECE1PTGER3
SCHEMBL4655386 0.87 ECE1 (0.51) MAOBPPARGCCR2ECE1F10
SCHEMBL3579347 0.87 ECE1 (0.51) MAOBCCR2ECE1F10ABCB1
SCHEMBL4656153 0.86 ECE1 (0.50) MAOBPPARGEPHX2ECE1F10

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
EP-1776340-B1 N-(1H-INDOLYL)-H-INDOLE-2-CARB0XAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI AVENTIS (FR) 2008-12-03 EP claimed