SCHEMBL20140314

SCHEMBL20140314

COC=Cc1cc(C(=O)N2CCN(c3cc(F)c(C#N)cc3F)C[C@@H]2C)c(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.43
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
CPS1 P31327 2/20 0.36
GRM1 Q13255 3/20 0.35
MTOR P42345 1/20 0.35
RPTOR Q8N122 1/20 0.35
MLST8 Q9BVC4 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
IDH1 O75874 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 1/20 0.33

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
SCHEMBL20140583 1.00 CHRM2 (0.43) CHRM2MAPTALDH1A1LMNACPS1
SCHEMBL20140761 0.94 MAPT (0.38) CHRM2MAPTALDH1A1LMNACPS1
SCHEMBL20139953 0.89 CHRM2 (0.46) CHRM2MAPTALDH1A1LMNAGRM1
SCHEMBL20157101 0.82 CHRM2 (0.46) CHRM2MAPTALDH1A1LMNAGRM1
SCHEMBL20140533 0.82 CHRM2 (0.46) CHRM2MAPTALDH1A1LMNAGRM1
SCHEMBL20156938 0.79 MTOR (0.51) CHRM2MAPTALDH1A1LMNACPS1
SCHEMBL20140684 0.79 MTOR (0.51) CHRM2MAPTALDH1A1LMNACPS1
SCHEMBL20140800 0.76 CHRM2 (0.53) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140022 0.76 CHRM2 (0.49) CHRM2MAPTGRM1MTORRPTOR
SCHEMBL20140156 0.76 CHRM2 (0.57) CHRM2MAPTALDH1A1LMNAGRM1

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