SCHEMBL20157415

SCHEMBL20157415

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2CCCN)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC27A1 Q6PCB7 3/20 0.39
PKM P14618 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
CLEC4M Q9H2X3 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
SCHEMBL20140732 0.89 CHRM1 (0.47) PPARGCHRM1
SCHEMBL20157507 0.89 CHRM1 (0.47) PPARGCHRM1
SCHEMBL20157124 0.87 PPARG (0.42) PPARGCHRM1L3MBTL1ALDH1A1GAA
SCHEMBL20156964 0.85 MTOR (0.49) PPARGL3MBTL1LMNAKDM4EHTT
Trifluoroacetic Acid SCHEMBL20140845 0.85 CHRM4 (0.45) PPARGCHRM1
Trifluoroacetic Acid SCHEMBL20141565 0.85 CHRM4 (0.45) PPARGCHRM1
Trifluoroacetic Acid SCHEMBL20141567 0.85 CHRM4 (0.45) PPARGCHRM1
SCHEMBL20141707 0.83 MTOR (0.47) PPARGKDM4EOPRM1OPRK1
SCHEMBL20156876 0.77 MTOR (0.44) CHRM1
SCHEMBL20156877 0.77 MTOR (0.44) CHRM1

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