SCHEMBL20157522

SCHEMBL20157522

Cc1cc(CCCNC(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccc(F)cn3)C[C@H]2C)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.43
CHRM4 P08173 3/20 0.42
GRM1 Q13255 1/20 0.41
HDAC1 Q13547 1/20 0.37
CHRM2 P08172 4/20 0.36
CHRM3 P20309 2/20 0.36
MAP4K4 O95819 1/20 0.35
PPARG P37231 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
RET P07949 1/20 0.34
BRD4 O60885 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
SCHEMBL20140810 1.00 CHRM1 (0.43) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20157520 0.94 CHRM1 (0.42) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20142114 0.94 CHRM1 (0.42) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20139933 0.90 CHRM1 (0.44) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20157518 0.90 CHRM1 (0.44) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20141104 0.84 CHRM1 (0.46) CHRM1CHRM4GRM1CHRM2CHRM3
SCHEMBL20141463 0.84 CHRM1 (0.46) CHRM1CHRM4GRM1HDAC1CHRM2
SCHEMBL20157521 0.82 CHRM4 (0.44) CHRM1CHRM4CHRM2PPARGRET
SCHEMBL20140682 0.82 CHRM4 (0.44) CHRM1CHRM4CHRM2PPARGRET
SCHEMBL20140102 0.81 GRM1 (0.40) 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