SCHEMBL20145300

SCHEMBL20145300

Cc1cnc(C(=O)N2CCC[C@@H](Nc3ccc(Br)cn3)C2)c(Cc2ncco2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.51
HCRTR2 O43614 5/20 0.51
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
GFER P55789 5/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL20144889 0.85 HCRTR1 (0.70) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL20144831 0.85 HCRTR1 (0.70) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL20145017 0.79 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144985 0.79 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144927 0.75 HCRTR1 (0.70) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL20145115 0.72 HCRTR1 (0.56) HCRTR1HCRTR2CCNKCDK12CCNA2
SCHEMBL20144835 0.72 HCRTR1 (0.70) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL18697778 0.72 HCRTR1 (0.70) HCRTR1HCRTR2CCNKCDK12GFER
SCHEMBL20144929 0.71 HCRTR1 (0.72) HCRTR1HCRTR2CCNKCDK12
SCHEMBL20144912 0.69 HCRTR1 (0.56) HCRTR1HCRTR2CCNKCDK12CCNA2

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