SCHEMBL2126629

SCHEMBL2126629

Nc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2cccc3cccnc23)c(-c2cccc(F)c2)s1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.64
HCRTR2 O43614 16/20 0.57

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
SCHEMBL1571796 0.85 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1339268 0.85 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL983225 0.84 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL986632 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL984532 0.84 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL984531 0.84 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL981738 0.84 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL2127620 0.84 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL982009 0.83 HCRTR1 (0.77) HCRTR1HCRTR2
SCHEMBL2127411 0.83 HCRTR1 (0.42) 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-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed