SCHEMBL2128305

SCHEMBL2128305

CC1=C(C(=O)NC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)c2nc(N(C)C)sc2-c2cccc(F)c2)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.44
HCRTR2 O43614 18/20 0.39
RORC P51449 1/20 0.34

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
SCHEMBL2126786 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL983386 0.84 HCRTR1 (0.43) HCRTR1HCRTR2RORC
SCHEMBL983384 0.84 HCRTR1 (0.43) HCRTR1HCRTR2RORC
SCHEMBL982525 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL985097 0.82 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2127078 0.82 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2126913 0.82 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL983901 0.82 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2126072 0.82 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL981787 0.81 HCRTR1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed