SCHEMBL20157062

SCHEMBL20157062

C=C/C=C(\C)N1CCN(Cc2ccc(C)c(C(=O)N3CCN(/C(C)=C/C=C)C(=O)C3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
P2RX7 Q99572 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL20157210 0.84 KDM4E (0.43) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20157036 0.84 HTT (0.43) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20157027 0.81 HTT (0.38) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20157250 0.79 GRIN2B (0.32) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL20157337 0.75 FAAH (0.36) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20156905 0.73 HTT (0.42) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20156901 0.71 HTT (0.41) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20157328 0.71 HTT (0.40) FAAHALDH1A1KDM4EHTTMEN1
SCHEMBL20157073 0.70 MC4R (0.37) FAAHALDH1A1HTTKMT2AHRH3
SCHEMBL20157029 0.70 ALDH1A1 (0.40) FAAHALDH1A1KDM4EHTTMEN1

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