SCHEMBL2931086

SCHEMBL2931086

Cc1ccc(-c2ccccc2C(=O)N2C[C@H]3C[C@H]3[C@H]2CN)cc1C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.43
HCRTR1 O43613 16/20 0.43
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3412532 1.00 HCRTR2 (0.43) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL3417003 0.88 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL2931897 0.88 HCRTR1 (0.45) HCRTR2HCRTR1
SCHEMBL3414068 0.87 MEN1 (0.43) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL2926961 0.87 MEN1 (0.43) HCRTR2HCRTR1MEN1KMT2A
SCHEMBL2930541 0.85 HCRTR1 (0.46) HCRTR2HCRTR1
SCHEMBL3415643 0.85 HCRTR1 (0.46) HCRTR2HCRTR1
SCHEMBL3415834 0.84 HCRTR1 (0.46) HCRTR2HCRTR1
SCHEMBL2925288 0.84 HCRTR1 (0.46) HCRTR2HCRTR1
SCHEMBL2931084 0.84 HCRTR2 (0.44) HCRTR2HCRTR1MEN1KMT2A

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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed