SCHEMBL26039639

SCHEMBL26039639

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REV1 Q9UBZ9 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL26039646 0.86 — —
SCHEMBL26039645 0.85 SIGMAR1 (0.33) —
SCHEMBL25357773 0.84 OPRD1 (0.33) REV1OPRD1OPRK1
SCHEMBL25354788 0.83 OPRM1 (0.33) OPRD1
SCHEMBL26039316 0.83 SIGMAR1 (0.31) —
SCHEMBL25360960 0.82 F2R (0.31) OPRD1OPRK1
SCHEMBL26039260 0.81 OPRL1 (0.31) —
SCHEMBL26039578 0.81 — —
SCHEMBL26039259 0.81 OPRM1 (0.33) —
SCHEMBL26039381 0.81 OPRL1 (0.31) —

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
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