SCHEMBL20142064

SCHEMBL20142064

Cc1cc(CCCOC(=O)NC(C)(C)C)c(C(=O)N2CCN(c3ccc(F)cn3)C[C@@H]2C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.44
GRM1 Q13255 1/20 0.41
CHRM4 P08173 3/20 0.40
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
PPARG P37231 1/20 0.36
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
WNT3A P56704 4/20 0.34
HDAC1 Q13547 1/20 0.34
TACR1 P25103 1/20 0.33
TACR3 P29371 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
SCHEMBL20139933 0.86 CHRM1 (0.44) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20157518 0.86 CHRM1 (0.44) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20140204 0.84 CHRM1 (0.48) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20141104 0.79 CHRM1 (0.46) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20140810 0.76 CHRM1 (0.43) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20157522 0.76 CHRM1 (0.43) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20142114 0.76 CHRM1 (0.42) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20157520 0.76 CHRM1 (0.42) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20141463 0.74 CHRM1 (0.46) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20156867 0.72 CHRM1 (0.45) CHRM1GRM1CHRM4CHRM2CHRM3

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