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Sugi Predict / Compounds / SCHEMBL31336787

SCHEMBL31336787

SCHEMBL31336787

C[C@@H]1OC(F)(F)CN(C(=O)OC(C)(C)C)[C@@H]1CNc1ncc(C(F)(F)F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 17/20 0.40
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HCRTR2 O43614 2/20 0.37

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
SCHEMBL31336708 0.91 HCRTR1 (0.40) HCRTR1RAB9APOLBGAALMNA
SCHEMBL31336693 0.91 HCRTR1 (0.48) HCRTR1RAB9APOLBGAALMNA
SCHEMBL31336590 0.89 HCRTR1 (0.39) HCRTR1RAB9APOLBGAALMNA
SCHEMBL31336816 0.88 HCRTR1 (0.38) HCRTR1RAB9APOLBGAALMNA
SCHEMBL31336861 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31372691 0.84 RAB9A (0.38) HCRTR1RAB9APOLBGAALMNA
SCHEMBL31336786 0.84 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL31336613 0.82 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL31336784 0.81 HCRTR1 (0.42) HCRTR1GAAHCRTR2
SCHEMBL31336733 0.81 HCRTR1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688154-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - Portela & Ca., S.A. (PT) 2026-02-11 — — EP disclosed
WO-2025023851-A1 MORPHOLINE OREXIN RECEPTOR ANTAGONISTS BIAL - PORTELA & CA., S.A. (PT) 2025-01-30 — — WO disclosed