SCHEMBL20141104

SCHEMBL20141104

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.46
GRM1 Q13255 1/20 0.44
CHRM4 P08173 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PPARG P37231 1/20 0.34
NAAA Q02083 5/20 0.34
SLC6A9 P48067 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
SCHEMBL20157522 0.84 CHRM1 (0.43) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20140810 0.84 CHRM1 (0.43) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20157095 0.84 GRM1 (0.53) CHRM1GRM1CHRM4PARP1PARP2
SCHEMBL20157096 0.84 GRM1 (0.53) CHRM1GRM1CHRM4PARP1PARP2
SCHEMBL20140053 0.84 GRM1 (0.53) CHRM1GRM1CHRM4PARP1PARP2
SCHEMBL20141463 0.80 CHRM1 (0.46) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20142064 0.79 CHRM1 (0.44) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20157520 0.78 CHRM1 (0.42) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20142114 0.78 CHRM1 (0.42) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20140204 0.76 CHRM1 (0.48) 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