SCHEMBL20144970

SCHEMBL20144970

O=C(c1ncccc1-c1ncccn1)N1CCCC(Nc2ccc(Cl)cn2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.52
CCNK O75909 4/20 0.50
CDK12 Q9NYV4 4/20 0.50
HCRTR2 O43614 4/20 0.46
GRM5 P41594 2/20 0.44
GFER P55789 1/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CDK7 P50613 2/20 0.43
CCNH P51946 2/20 0.43
MNAT1 P51948 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20144912 0.88 HCRTR1 (0.56) HCRTR1CCNKCDK12HCRTR2GRM5
SCHEMBL20144954 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145009 0.85 GFER (0.49) HCRTR1CCNKCDK12HCRTR2GRM5
SCHEMBL20145164 0.85 HCRTR1 (0.52) HCRTR1CCNKCDK12HCRTR2
SCHEMBL20144983 0.85 HCRTR1 (0.52) HCRTR1CCNKCDK12HCRTR2
SCHEMBL20144870 0.80 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL20145036 0.80 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL20145115 0.80 HCRTR1 (0.56) HCRTR1CCNKCDK12HCRTR2GFER
SCHEMBL16147979 0.79 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL20145231 0.77 PDE10A (0.43) HCRTR1CCNKCDK12HCRTR2

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