SCHEMBL2635950

SCHEMBL2635950

CNC(=O)C1CCN(Cc2ccc([N+]3([C@H]4CCNC4)CCC[C@@H]3C)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.43
LTA4H P09960 4/20 0.42
HRH3 Q9Y5N1 2/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL3657524 0.72 PARP10 (0.39)
Trifluoroacetic Acid SCHEMBL3657613 0.72 SMN1; SMN2 (0.47)
SCHEMBL2636348 0.69 KDM4E (0.60) ACKR3LTA4H
SCHEMBL12803104 0.69 GAA (0.63) ACKR3LTA4H
SCHEMBL3657680 0.68 RAB9A (0.51)
SCHEMBL10153803 0.67 SIGMAR1 (0.54) ACKR3LTA4H
SCHEMBL3650931 0.66 FLT3 (0.34)
SCHEMBL3379322 0.65 HRH3 (0.52) HRH3
SCHEMBL18291379 0.64 KMT2A (0.54) ACKR3LTA4H
SCHEMBL2477635 0.64

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569297-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP claimed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO claimed
EP-2569297-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed