SCHEMBL5743555

SCHEMBL5743555

CS(=O)(=O)Nc1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
HRH3 Q9Y5N1 8/20 0.48
NTRK1 P04629 2/20 0.44
RET P07949 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
KMT2A Q03164 1/20 0.39
ACVR1 Q04771 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KIF11 P52732 1/20 0.39
PIK3CA P42336 1/20 0.39
TDO2 P48775 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
Hydrochloric Acid SCHEMBL3972287 0.99 GAA (0.53) GAAHRH3NTRK1RETGPR119
Hydrochloric Acid SCHEMBL3971158 0.94 GAA (0.55) GAAHRH3NTRK1GPR119KMT2A
Hydrochloric Acid SCHEMBL3972677 0.84 KMT2A (0.45) GAAHRH3KMT2AKDM2BPIK3CA
Hydrochloric Acid SCHEMBL3973037 0.82 KMT2A (0.48) GAAHRH3GPR119KMT2AKDM2B
Hydrochloric Acid SCHEMBL3973918 0.81 MAPT (0.48) GAAKMT2A
Hydrochloric Acid SCHEMBL3972946 0.80 MAPT (0.49) HRH3KDM2B
SCHEMBL1742633 0.80 KDM4E (0.54) GAAHRH3RETKMT2AKDM2B
Hydrochloric Acid SCHEMBL3973384 0.79 GAA (0.53) GAAHRH3NTRK1KMT2AACVR1
SCHEMBL2824378 0.78 GAA (0.49) GAAHRH3GPR119KMT2AKDM2B
SCHEMBL3977911 0.78 HRH3 (0.47) HRH3RETACVR1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1721896-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the compositions containing them Les Laboratoires Servier (FR) 2006-11-15 EP claimed
WO-2006120348-A1 NOVEL PHENYL-PYRIDINYL-PIPERAZINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-11-16 WO disclosed
EP-1721896-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the compositions containing them Les Laboratoires Servier (FR) 2006-11-15 EP disclosed