SCHEMBL20157345

SCHEMBL20157345

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2cccc(C#N)n2)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.41
MTOR P42345 2/20 0.41
RPTOR Q8N122 2/20 0.41
MLST8 Q9BVC4 2/20 0.41
TRPV1 Q8NER1 4/20 0.40
PARP1 P09874 1/20 0.40
GPR6 P46095 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
GRM1 Q13255 1/20 0.38
HCRTR2 O43614 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL20157350 1.00 CHRM4 (0.41) CHRM4MTORRPTORMLST8TRPV1
SCHEMBL20140106 0.92 GRM1 (0.47) CHRM4PARP1GPR6GRM1
SCHEMBL20157542 0.88 CHRM4 (0.49) CHRM4TRPV1CHRM2CHRM1GRM1
SCHEMBL20157309 0.86 MTOR (0.47) CHRM4MTORRPTORMLST8TRPV1
SCHEMBL20156810 0.86 MTOR (0.47) CHRM4MTORRPTORMLST8TRPV1
SCHEMBL20157302 0.84 MTOR (0.43) CHRM4MTORRPTORMLST8PARP1
SCHEMBL20157300 0.84 MTOR (0.43) CHRM4MTORRPTORMLST8PARP1
SCHEMBL20157308 0.84 CHRM4 (0.44) CHRM4TRPV1CHRM2HCRTR2MALT1
SCHEMBL20157311 0.83 GRM1 (0.43) CHRM4PARP1GRM1
SCHEMBL20140262 0.80 KDM4E (0.49) MTORRPTORMLST8PARP1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed