SCHEMBL3652192

SCHEMBL3652192

Cc1cc([N+]2(N3CCCC3)CCC[C@@H]2C)ccc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.39
GAA P10253 1/20 0.36
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
YWHAG P61981 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.34
PARP1 P09874 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 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
SCHEMBL3653320 1.00 GFER (0.39) GFERGAAPDE4DPDE7AKDM4E
SCHEMBL2425933 0.73 GFER (0.39) GFERGAAPDE4DPDE7AKDM4E
SCHEMBL3650931 0.71 FLT3 (0.34) PDE4DPDE7APARP1MAPK1MKNK1
SCHEMBL3654536 0.71 FLT3 (0.34) PDE4DPDE7APARP1MAPK1MKNK1
SCHEMBL6471454 0.65 HPGD (0.60) GFERKDM4EKMT2AALDH1A1TSHR
SCHEMBL5830502 0.62 BRD9 (0.51) GAAKDM4EMAPTKMT2AMEN1
SCHEMBL284479 0.60 MKNK1 (0.49) KMT2AMEN1HTTPARP1ALDH1A1
SCHEMBL2128609 0.60 PARP1 (0.52) KDM4EHSD17B10PARP1ALDH1A1TSHR
SCHEMBL29972939 0.59 POLB (0.49) GFER
SCHEMBL5070484 0.59 HPGD (0.54) GAAKMT2AMEN1HTTALDH1A1

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-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP claimed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed