SCHEMBL26039798

SCHEMBL26039798

CCc1cc2c(s1)CCO[C@@]21CCN(C[C@H]2C[C@@H](NC(=O)OC)C2)[C@@H](C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL25360960 1.00 F2R (0.31) F2ROPRD1OPRK1
SCHEMBL26040526 0.94 — —
SCHEMBL26040591 0.92 OPRK1 (0.31) OPRK1
SCHEMBL26040525 0.92 — —
SCHEMBL26040478 0.92 — —
SCHEMBL26040800 0.92 DRD2 (0.33) —
SCHEMBL26046004 0.92 DRD2 (0.33) —
SCHEMBL25358517 0.92 DRD2 (0.33) —
SCHEMBL26040527 0.92 DRD2 (0.30) —
SCHEMBL26040530 0.91 OPRD1 (0.31) OPRD1OPRK1

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