SCHEMBL20144769

SCHEMBL20144769

O=C(c1cccnc1-n1nccn1)N1CCCC(Oc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.62
HCRTR2 O43614 7/20 0.55

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
SCHEMBL20145080 0.89 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20145242 0.89 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20144925 0.88 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144858 0.88 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL18697670 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144900 0.87 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145010 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144853 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144995 0.85 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697669 0.85 HCRTR1 (0.70) 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