SCHEMBL20150131

SCHEMBL20150131

CC1CCN(c2c(F)cc(F)cc2C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CHRM4 P08173 5/20 0.43
RCE1 Q9Y256 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 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
SCHEMBL20129732 0.85 SSTR2 (0.47) CYP3A4CYP2C9SSTR2SSTR3CYP2C19
SCHEMBL20129616 0.79 KDM4E (0.56) ARMEN1KMT2ACHRM4RCE1
SCHEMBL20133861 0.71 MTOR (0.50) CHRM4KCNH2
SCHEMBL240298 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14000091 0.68 KDM4E (0.44) MEN1KMT2ACHRM4ALDH1A1KDM4E
SCHEMBL430414 0.67 MAPT (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1692184 0.66 GRM5 (0.38) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL10819380 0.66 GAA (0.58) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL13176022 0.66 MEN1 (0.59) ARMEN1KMT2AALDH1A1KDM4E
SCHEMBL16404655 0.66 MEN1 (0.52) ARMEN1KMT2ACHRM4ALDH1A1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed