SCHEMBL20140156

SCHEMBL20140156

C[C@H]1CN(c2cc(F)c(C#N)cc2F)CCN1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.57
GRM1 Q13255 3/20 0.46
MAPT P10636 4/20 0.43
CHRM4 P08173 6/20 0.42
CHRM1 P11229 3/20 0.42
CHRM5 P08912 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
AKR1B1 P15121 1/20 0.40

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
SCHEMBL20141221 0.91 CHRM2 (0.49) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL20157102 0.84 CHRM2 (0.52) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL20139939 0.80 GRM1 (0.67) CHRM2GRM1CHRM4
SCHEMBL20139953 0.79 CHRM2 (0.46) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL20140937 0.77 MTOR (0.55) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL20140533 0.77 CHRM2 (0.46) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL20157101 0.77 CHRM2 (0.46) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL25330081 0.76 GRM1 (0.44) CHRM2GRM1MAPTCHRM4CHRM1
SCHEMBL20140806 0.76 NR1H2 (0.46) CHRM2GRM1MAPTCHRM1ALDH1A1
SCHEMBL20140684 0.76 MTOR (0.51) CHRM2GRM1MAPTALDH1A1LMNA

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