SCHEMBL9957258

SCHEMBL9957258

Cc1ccc(-c2ccccn2)c(C(=O)N2C[C@H]3CCN(c4nc5cc(F)ccc5o4)C[C@H]32)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.51
HCRTR2 O43614 16/20 0.51
NAAA Q02083 1/20 0.44

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
SCHEMBL9957771 0.85 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL9956139 0.85 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9957254 0.78 HCRTR1 (0.40) HCRTR1HCRTR2NAAA
SCHEMBL9957807 0.78 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL9957747 0.77 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL9956117 0.77 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL9958148 0.76 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL9954612 0.75 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL18734396 0.75 HCRTR1 (0.85) HCRTR1HCRTR2
SCHEMBL16277466 0.75 HCRTR1 (0.85) 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-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed