SCHEMBL14162136

SCHEMBL14162136

C=C(c1ccc(C(F)(F)F)c(N)c1)N1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
SLC9A1 P19634 2/20 0.46
CYP2C19 P33261 2/20 0.46
KCNH2 Q12809 1/20 0.46
AR P10275 1/20 0.42
KDM1A O60341 1/20 0.41
FASN P49327 13/20 0.41
RBP4 P02753 2/20 0.39

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
SCHEMBL4197824 0.87 CYP3A4 (0.57) CYP3A4CYP2C9SLC9A1CYP2C19KCNH2
SCHEMBL14161527 0.86 FASN (0.42) FASN
SCHEMBL14210045 0.85 FASN (0.40) CYP3A4CYP2C9SLC9A1CYP2C19KCNH2
SCHEMBL14161783 0.84 FASN (0.43) FASN
SCHEMBL14161578 0.84 FASN (0.47) FASN
SCHEMBL14161690 0.83 FASN (0.48) FASN
SCHEMBL14161764 0.81 FASN (0.45) FASN
SCHEMBL14209856 0.81 FASN (0.48) FASN
SCHEMBL14161756 0.80 FASN (0.52) FASN
SCHEMBL14161790 0.79 FASN (0.48) FASN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075064-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF OBESITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed