SCHEMBL6926385

SCHEMBL6926385

O=C(c1cc(F)ccc1C1N=CC=CN1)N1CC2CN(c3nccc(C(F)(F)F)n3)CC2C1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.63
HCRTR2 O43614 20/20 0.63

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
SCHEMBL1671699 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6923989 0.69 HCRTR2 (0.60) HCRTR1HCRTR2
SCHEMBL1671652 0.69 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671671 0.66 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11907998 0.64 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL30465896 0.64 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1673003 0.64 ADRB1 (0.62) HCRTR1HCRTR2
SCHEMBL1671272 0.63 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6924236 0.63 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671993 0.63 HCRTR1 (1.00) 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
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed