SCHEMBL9957079

SCHEMBL9957079

Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CCN(c4cnc5cc(F)ccc5n4)C[C@H]32)c1F

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.57
HCRTR2 O43614 19/20 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
SCHEMBL9957554 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9957552 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9956544 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL9957367 0.89 HCRTR2 (0.47) HCRTR1HCRTR2
SCHEMBL9957143 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL9956269 0.88 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL9957873 0.86 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL9955925 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL9954406 0.85 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL9954400 0.85 HCRTR1 (0.69) 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