SCHEMBL9957771

SCHEMBL9957771

Cc1ccc(-c2ccccn2)c(C(=O)N2C[C@@H]3CCN(c4nc(C)c(-c5cccc(F)c5)o4)C[C@@H]32)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.45
HCRTR2 O43614 14/20 0.45

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
SCHEMBL9957747 0.93 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL9956166 0.86 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL9957258 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL9956946 0.85 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL9957422 0.85 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL9958049 0.83 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL9954807 0.78 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9957797 0.77 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9956423 0.75 HCRTR2 (0.43) HCRTR1HCRTR2
SCHEMBL9956117 0.75 HCRTR1 (0.53) 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 2 patents. 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 claimed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed