Sugi Predict

Sugi Predict / Compounds / SCHEMBL18588652

SCHEMBL18588652

SCHEMBL18588652

[2H]c1c(C([2H])([2H])[2H])nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccn4)CC3C2)nc1C([2H])([2H])[2H]

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 20/20 0.79
▸ HCRTR2 O43614 20/20 0.79

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
SCHEMBL1673058 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1672824 0.84 HCRTR1 (0.89) HCRTR1HCRTR2
SCHEMBL1671668 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL11920252 0.84 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL6925278 0.83 HCRTR1 (0.85) HCRTR1HCRTR2
SCHEMBL1671341 0.81 HCRTR1 (0.82) HCRTR1HCRTR2
SCHEMBL6925695 0.80 HCRTR1 (0.80) HCRTR1HCRTR2
SCHEMBL1672419 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6924174 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6925303 0.79 HCRTR1 (0.78) 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
US-9586962-B2 Disubstituted octahydropyrrolo [3,4-C] pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-07 — — US disclosed