SCHEMBL20140035

SCHEMBL20140035

C[C@H]1CN(c2ccc(F)cn2)CCN1C(=O)c1cc(C=O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.52
CHRM4 P08173 1/20 0.45
CHRM1 P11229 2/20 0.44
P2RX7 Q99572 4/20 0.43
SLC6A9 P48067 6/20 0.40
SLC6A7 Q99884 2/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HSD11B1 P28845 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
SCHEMBL20140014 0.90 GRM1 (0.54) GRM1CHRM4CHRM1P2RX7SLC6A9
SCHEMBL20157096 0.80 GRM1 (0.53) GRM1CHRM4CHRM1SLC6A9PARP1
SCHEMBL20157095 0.80 GRM1 (0.53) GRM1CHRM4CHRM1SLC6A9PARP1
SCHEMBL20140053 0.80 GRM1 (0.53) GRM1CHRM4CHRM1SLC6A9PARP1
SCHEMBL26127206 0.79 PARP1 (0.50) GRM1CHRM4CHRM1PARP1PARP2
SCHEMBL30546328 0.79 PARP1 (0.50) GRM1CHRM4CHRM1PARP1PARP2
SCHEMBL20156969 0.75 CHRM4 (0.51) GRM1CHRM4CHRM1
SCHEMBL20140668 0.75 CHRM4 (0.51) GRM1CHRM4CHRM1
SCHEMBL20141517 0.73 KDM4E (0.49)
SCHEMBL20141104 0.71 CHRM1 (0.46) GRM1CHRM4CHRM1SLC6A9PARP1

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed