SCHEMBL26039645

SCHEMBL26039645

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL26039316 0.89 SIGMAR1 (0.31) SIGMAR1
SCHEMBL26039573 0.89 SIGMAR1 (0.31) SIGMAR1
SCHEMBL25357235 0.88 SIGMAR1 (0.34) SIGMAR1KCNH2
SCHEMBL26052448 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL31387379 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL26047461 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL25357848 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL25355626 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL25356091 0.88 SIGMAR1 (0.30) SIGMAR1
SCHEMBL26039698 0.88 SIGMAR1 (0.30) SIGMAR1

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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