SCHEMBL9953646

SCHEMBL9953646

Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3CN(c4nc(-c5cccc(F)c5)c(C)s4)[C@H]3C2)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.62
HCRTR2 O43614 20/20 0.62

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
SCHEMBL9957157 1.00 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL9956412 0.94 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL9956416 0.94 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL9955596 0.91 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL9955139 0.91 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL9954520 0.90 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL9955533 0.90 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL9956152 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL9956149 0.87 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL9955442 0.87 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO claimed
EP-2655511-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2013-10-30 EP disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012084914-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-06-28 WO disclosed