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SCHEMBL2127208

SCHEMBL2127208

Cc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccc(F)c(F)c2)s1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 18/20 0.60
▸ HCRTR2 O43614 17/20 0.60

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
SCHEMBL2127779 0.95 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL983717 0.94 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2126428 0.92 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL985931 0.91 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL981779 0.91 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL983694 0.91 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2128299 0.90 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL982893 0.90 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL983220 0.89 HCRTR1 (0.75) HCRTR1HCRTR2
SCHEMBL981533 0.89 HCRTR1 (0.63) 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