SCHEMBL4655291

SCHEMBL4655291

CCCc1ccc(-n2c(C(=O)Nc3ccc4c(ccn4C)c3)cc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.49
NOTUM Q6P988 1/20 0.45
RORC P51449 1/20 0.43
MAOB P27338 1/20 0.43
HTR2B P41595 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNA7 P36544 2/20 0.42
HTR2C P28335 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
TSHR P16473 3/20 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
SCHEMBL4655338 0.93 ECE1 (0.47) ECE1NOTUMRORCMAOBHTR2B
SCHEMBL4656220 0.88 ECE1 (0.59) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4656319 0.86 ECE1 (0.50) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4655331 0.86 MAOB (0.51) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4655285 0.86 ECE1 (0.53) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4656109 0.85 MAPT (0.51) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4655284 0.85 ECE1 (0.48) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL3571160 0.84 ECE1 (0.48) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4655301 0.84 ECE1 (0.48) ECE1NOTUMMAOBHTR2BMAPT
SCHEMBL4655289 0.84 ECE1 (0.53) ECE1NOTUMMAOBHTR2BMAPT

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
CN-101010297-B N- (1H-indolyl) -1H-indole-2-carboxamide derivatives, their preparation and their pharmaceutical use SANOFI AVENTIS 2011-07-27 CN claimed
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