SCHEMBL20157542

SCHEMBL20157542

Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccn2)C[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.49
GRM1 Q13255 5/20 0.47
ALDH1A1 P00352 1/20 0.43
TRPV1 Q8NER1 4/20 0.42
HSD11B1 P28845 1/20 0.41
HCRTR2 O43614 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20157308 0.91 CHRM4 (0.44) CHRM4TRPV1HCRTR2MALT1CHRM2
SCHEMBL20157345 0.88 CHRM4 (0.41) CHRM4GRM1TRPV1HCRTR2MALT1
SCHEMBL20157350 0.88 CHRM4 (0.41) CHRM4GRM1TRPV1HCRTR2MALT1
SCHEMBL20156810 0.87 MTOR (0.47) CHRM4GRM1TRPV1HCRTR2CHRM2
SCHEMBL20157309 0.87 MTOR (0.47) CHRM4GRM1TRPV1HCRTR2CHRM2
SCHEMBL20140812 0.87 ALDH1A1 (0.56) CHRM4ALDH1A1MAPTHTTMEN1
SCHEMBL20157004 0.83 CHRM4 (0.47) CHRM4GRM1ALDH1A1CHRM2MEN1
SCHEMBL20157005 0.83 CHRM4 (0.47) CHRM4GRM1ALDH1A1CHRM2MEN1
SCHEMBL20141840 0.80 GRM1 (0.49) CHRM4GRM1ALDH1A1HSD11B1CHRM2
SCHEMBL20140106 0.80 GRM1 (0.47) CHRM4GRM1ALDH1A1HSD11B1

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