SCHEMBL2126772

SCHEMBL2126772

CN(C)c1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2cnc3ccccn23)c(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.48
HCRTR2 O43614 10/20 0.39
KIT P10721 6/20 0.35

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
SCHEMBL981982 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL981979 0.81 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL984406 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL983527 0.79 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL982579 0.79 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL984618 0.79 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2126786 0.79 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL982926 0.79 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL983211 0.78 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL984261 0.78 HCRTR1 (0.58) 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