SCHEMBL20145209

SCHEMBL20145209

O=C(c1cccnc1-n1nccn1)N1CCCC(Oc2cnc(C(F)(F)F)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.53
HCRTR2 O43614 3/20 0.49

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
SCHEMBL20144858 0.93 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL18697756 0.81 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144805 0.81 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL16147998 0.81 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL20144769 0.81 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL20144955 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697658 0.80 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697662 0.79 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144942 0.79 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145159 0.77 HCRTR1 (0.67) 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