SCHEMBL20157518

SCHEMBL20157518

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.44
CHRM4 P08173 3/20 0.43
GRM1 Q13255 1/20 0.41
HDAC1 Q13547 1/20 0.38
CHRM2 P08172 4/20 0.37
CHRM3 P20309 2/20 0.37
CPB2 Q96IY4 1/20 0.37
PPARG P37231 1/20 0.36
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MAP4K4 O95819 1/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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 1.00 CHRM1 (0.44) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20140204 0.90 CHRM1 (0.48) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20157522 0.90 CHRM1 (0.43) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20140810 0.90 CHRM1 (0.43) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20142114 0.90 CHRM1 (0.42) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20157520 0.90 CHRM1 (0.42) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20142064 0.86 CHRM1 (0.44) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20140682 0.83 CHRM4 (0.44) CHRM1CHRM4CHRM2PPARG
SCHEMBL20157521 0.83 CHRM4 (0.44) CHRM1CHRM4CHRM2PPARG
SCHEMBL20157201 0.81 GRM1 (0.41) CHRM4GRM1CHRM2

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