SCHEMBL20156867

SCHEMBL20156867

Cc1cc(CCCN)c(C(=O)N2CCN(c3ccc(F)cn3)C[C@@H]2C)cc1CN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.45
GRM1 Q13255 1/20 0.43
CHRM4 P08173 3/20 0.43
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
PARP1 P09874 3/20 0.38
PARP2 Q9UGN5 2/20 0.38
PPARG P37231 1/20 0.37
WDR5 P61964 1/20 0.36
SLC6A9 P48067 2/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL20156876 0.86 MTOR (0.44) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20156856 0.86 MTOR (0.44) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20156877 0.86 MTOR (0.44) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20157507 0.85 CHRM1 (0.47) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20140732 0.85 CHRM1 (0.47) CHRM1GRM1CHRM4CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL20140703 0.83 CHRM4 (0.42) CHRM1GRM1CHRM4CHRM2PARP1
Trifluoroacetic Acid SCHEMBL20140845 0.81 CHRM4 (0.45) CHRM1GRM1CHRM4CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL20141567 0.81 CHRM4 (0.45) CHRM1GRM1CHRM4CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL20141565 0.81 CHRM4 (0.45) CHRM1GRM1CHRM4CHRM2CHRM3
SCHEMBL20140204 0.75 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