SCHEMBL20144741

SCHEMBL20144741

O=C(c1ccccc1-n1nccn1)N1CCCC(Nc2ncc(Cl)cn2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 17/20 0.65
HCRTR1 O43613 14/20 0.65
CCNK O75909 3/20 0.50
CDK12 Q9NYV4 3/20 0.50

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
SCHEMBL18697641 0.90 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144820 0.90 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL20145146 0.90 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144808 0.89 HCRTR1 (0.66) HCRTR2HCRTR1
SCHEMBL20145116 0.89 HCRTR1 (0.66) HCRTR2HCRTR1
SCHEMBL20144896 0.88 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL18697746 0.88 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL20144988 0.87 HCRTR1 (0.68) HCRTR2HCRTR1CCNKCDK12
SCHEMBL18697535 0.87 HCRTR1 (0.68) HCRTR2HCRTR1CCNKCDK12
SCHEMBL20144946 0.86 HCRTR2 (0.67) HCRTR2HCRTR1CCNKCDK12

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