SCHEMBL20144767

SCHEMBL20144767

Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(Nc3nc(C)cc(C)n3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.67
HCRTR2 O43614 11/20 0.67
GFER P55789 2/20 0.49
KMT2A Q03164 1/20 0.49
PDE2A O00408 1/20 0.47
CCNK O75909 2/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CDK7 P50613 2/20 0.46
CCNH P51946 2/20 0.46
MNAT1 P51948 2/20 0.46
CDK12 Q9NYV4 2/20 0.46

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
SCHEMBL18697652 1.00 HCRTR1 (0.67) HCRTR1HCRTR2GFERKMT2APDE2A
SCHEMBL20144803 0.84 HCRTR1 (0.71) HCRTR1HCRTR2GFERKMT2A
SCHEMBL20145079 0.81 HCRTR1 (0.69) HCRTR1HCRTR2PDE2A
SCHEMBL16031444 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078109 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031442 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18697815 0.77 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144816 0.77 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144875 0.77 HCRTR1 (0.71) HCRTR1HCRTR2GFER
SCHEMBL11900972 0.76 HCRTR1 (1.00) HCRTR1HCRTR2

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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed