SCHEMBL3414530

SCHEMBL3414530

Cc1ccc(-c2ccccc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)cc1C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.45
HCRTR2 O43614 11/20 0.45
RXFP1 Q9HBX9 1/20 0.32
RORC P51449 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3413228 0.92 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3415509 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL3413357 0.90 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2447698 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2442934 0.88 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1340550 0.88 HCRTR1 (0.57) HCRTR1HCRTR2ALOX15MAPK1
SCHEMBL3415231 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3409828 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2445397 0.88 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2450783 0.87 HCRTR1 (0.42) HCRTR1HCRTR2ALOX15

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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed