SCHEMBL1397553

SCHEMBL1397553

CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2c(F)c(Cl)cc3cc[nH]c23)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
CDK8 P49336 3/20 0.35
SLC2A1 P11166 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MGLL Q99685 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL1386968 0.89 MEN1 (0.37) TRPM8SLC2A1HDAC11HDAC8HDAC6
SCHEMBL1397684 0.86 TRPM8 (0.37) TRPM8CDK8SLC2A1HDAC11HDAC8
SCHEMBL1386856 0.86 PPARG (0.35) SLC2A1HDAC11HDAC8HDAC6MGLL
SCHEMBL20768023 0.85 SLC2A1 (0.38) TRPM8CDK8SLC2A1HDAC8MEN1
SCHEMBL1397688 0.83 TRPM8 (0.34) TRPM8CDK8SLC2A1HDAC11HDAC8
SCHEMBL1397717 0.82 MCL1 (0.34) CDK8SLC2A1HDAC11HDAC8HDAC6
SCHEMBL1397592 0.80 HCRTR1 (0.37) TRPM8HCRTR1HCRTR2SLC2A1HDAC11
SCHEMBL1386237 0.79 ESRRG (0.34) TRPM8HDAC11HDAC8HDAC6
SCHEMBL1386433 0.79 TRPV1 (0.35) TRPM8CDK8HDAC11HDAC8HDAC6
SCHEMBL1385947 0.78 ESRRG (0.36) HDAC11HDAC8HDAC6MEN1KMT2A

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
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed