SCHEMBL26039259

SCHEMBL26039259

CCc1cc2c(s1)CCO[C@@]21CCN(CC(C)(C)O)[C@@H](C)C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL26039645 0.87 SIGMAR1 (0.33) —
SCHEMBL26039316 0.85 SIGMAR1 (0.31) —
SCHEMBL26039646 0.85 — —
SCHEMBL26039319 0.84 OPRL1 (0.31) —
SCHEMBL26039578 0.84 — —
SCHEMBL26039260 0.84 OPRL1 (0.31) —
SCHEMBL26039381 0.84 OPRL1 (0.31) —
SCHEMBL26039573 0.83 SIGMAR1 (0.31) —
SCHEMBL25357235 0.82 SIGMAR1 (0.34) —
SCHEMBL25357848 0.82 SIGMAR1 (0.30) —

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
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
Send feedback