Sugi Predict

Sugi Predict / Compounds / SCHEMBL2127635

SCHEMBL2127635

SCHEMBL2127635

Cc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@@H]2CNC(=O)Oc2cccc3ncsc23)c(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 0.45
▸ HCRTR2 O43614 18/20 0.40

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
SCHEMBL986664 0.89 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2128082 0.84 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2127953 0.84 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2127018 0.83 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2127231 0.83 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2126430 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2128479 0.82 HCRTR1 (0.39) HCRTR1HCRTR2
SCHEMBL2127616 0.82 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2127013 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2125443 0.81 HCRTR1 (0.38) 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 claimed