SCHEMBL1735361

SCHEMBL1735361

COc1ccc(-c2cnc(Nc3ccc(CCN4CCC(OC(=O)O)CC4)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
GSK3B P49841 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CACNA1G O43497 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR2B P41595 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LTA4H P09960 1/20 0.41
CDK1 P06493 1/20 0.41
KDR P35968 1/20 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
SCHEMBL1736462 0.90 KCNA5 (0.47) HDAC3HDAC1HDAC2HDAC6
SCHEMBL1735352 0.90 CHRM5 (0.43) CHRM5CHRM1CHRM3HRH3LTA4H
SCHEMBL1736528 0.90 CHRM5 (0.43) CHRM5CHRM1CHRM3HRH3LTA4H
SCHEMBL1735359 0.89 OPRM1 (0.46) OPRM1SIGMAR1CACNA1GHTR1AHTR1D
Hydrochloric Acid SCHEMBL1734487 0.88 OPRM1 (0.45) OPRM1SIGMAR1CACNA1GHTR1AHTR1D
SCHEMBL1734200 0.87 OPRM1 (0.44) OPRM1SIGMAR1GSK3BHTR1AHRH3
SCHEMBL1735370 0.87 JAK2 (0.44) SIGMAR1HRH3HDAC3HDAC1HDAC2
SCHEMBL1734153 0.87 CACNA1G (0.45) OPRM1SIGMAR1CACNA1GHTR1AHTR1D
SCHEMBL13605739 0.87 CACNA1G (0.45) OPRM1SIGMAR1GSK3BCACNA1GHTR1A
SCHEMBL1735198 0.86 AVPR1B (0.48) OPRM1SIGMAR1CACNA1GHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP claimed