SCHEMBL20157095

SCHEMBL20157095

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.53
CHRM1 P11229 1/20 0.45
CHRM4 P08173 1/20 0.44
SLC6A9 P48067 6/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
NAAA Q02083 7/20 0.39
WNT3A P56704 2/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL20140053 1.00 GRM1 (0.53) GRM1CHRM1CHRM4SLC6A9PARP1
SCHEMBL20157096 1.00 GRM1 (0.53) GRM1CHRM1CHRM4SLC6A9PARP1
SCHEMBL20140581 0.84 KDM4E (0.52)
SCHEMBL20141104 0.84 CHRM1 (0.46) GRM1CHRM1CHRM4SLC6A9PARP1
SCHEMBL20140014 0.83 GRM1 (0.54) GRM1CHRM1CHRM4SLC6A9PARP1
SCHEMBL20140810 0.80 CHRM1 (0.43) GRM1CHRM1CHRM4PARP1PARP2
SCHEMBL20157522 0.80 CHRM1 (0.43) GRM1CHRM1CHRM4PARP1PARP2
SCHEMBL20140035 0.80 GRM1 (0.52) GRM1CHRM1CHRM4SLC6A9PARP1
SCHEMBL20142107 0.79 GRM1 (0.47) GRM1CHRM1CHRM4SLC6A9PARP1
SCHEMBL20140074 0.78 MAPT (0.50) CHRM4

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