SCHEMBL20157124

SCHEMBL20157124

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
CHRM1 P11229 1/20 0.38
LMNA P02545 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CLEC4M Q9H2X3 1/20 0.36
PRKAA2 P54646 1/20 0.35
TP53 P04637 1/20 0.35
SLC27A1 Q6PCB7 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20157415 0.87 PPARG (0.42) PPARGCHRM1LMNAKDM4ESMN1; SMN2
SCHEMBL20157154 0.84 MTOR (0.45) ALDH1A1CLEC4MMEN1KMT2A
SCHEMBL20157121 0.81 CHRM1 (0.41) PPARGCHRM1MEN1KMT2A
SCHEMBL20156964 0.79 MTOR (0.49) PPARGLMNAKDM4ESMN1; SMN2L3MBTL1
SCHEMBL20141707 0.77 MTOR (0.47) PPARGKDM4EPRKAA2
SCHEMBL20140732 0.77 CHRM1 (0.47) PPARGCHRM1
SCHEMBL20157507 0.77 CHRM1 (0.47) PPARGCHRM1
SCHEMBL20140054 0.76 CHRM1 (0.42) PPARGCHRM1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL20141565 0.75 CHRM4 (0.45) PPARGCHRM1
Trifluoroacetic Acid SCHEMBL20141567 0.75 CHRM4 (0.45) PPARGCHRM1

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