SCHEMBL3703939

SCHEMBL3703939

Cc1cc([N+]2(C3CCNC3)CCCC2C)ccc1NC(=O)c1ccc(-n2cncn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
ROCK1 Q13464 1/20 0.37
GRM7 Q14831 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR1 P21453 1/20 0.34
NPC1 O15118 1/20 0.34
ROCK2 O75116 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3707040 0.86 ROCK1 (0.37) ROCK1GAAMAPT
SCHEMBL3651913 0.84 BCL9 (0.41) RAB9AALDH1A1MAPTHPGD
SCHEMBL3653649 0.84 BCL9 (0.41) RAB9AALDH1A1MAPTHPGD
SCHEMBL3658188 0.84 BCL9 (0.41) RAB9AALDH1A1MAPTHPGD
SCHEMBL3657527 0.83 RAB9A (0.46) RAB9AKDM4EALDH1A1NPC1HPGD
SCHEMBL3657254 0.82 SMN1; SMN2 (0.39) RAB9AALDH1A1NPC1MAPT
SCHEMBL3654285 0.81 MAPT (0.38) RAB9AMAPT
SCHEMBL3648133 0.80 LMNA (0.41) RAB9AKDM4EPOLBALDH1A1NPC1
SCHEMBL3657543 0.80 NPC1 (0.40) RAB9AKDM4EALDH1A1NPC1ROCK2
SCHEMBL3655567 0.79 MAPT (0.33) RAB9AALDH1A1MAPT

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
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed