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SCHEMBL2442097

SCHEMBL2442097

Cc1nc(C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)c(-c2ccc(F)c(F)c2)s1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 0.48
▸ HCRTR2 O43614 10/20 0.48

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
SCHEMBL2442497 0.93 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2442507 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2440206 0.92 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2440864 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2448712 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2440848 0.90 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2444057 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2444663 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2450785 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2443940 0.90 HCRTR1 (0.47) 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-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 — — EP claimed