SCHEMBL2126399

SCHEMBL2126399

Cc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2scc3c2OCCO3)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.49
HCRTR2 O43614 17/20 0.48

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
SCHEMBL2128222 0.93 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL983476 0.89 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1571533 0.86 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1339862 0.86 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2125964 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2125280 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2127224 0.84 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2128345 0.83 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2126694 0.82 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL985023 0.81 HCRTR1 (0.52) 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