SCHEMBL26058045

SCHEMBL26058045

C[C@H]1CC2(CCN1CCO)OCCc1sc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.33
▸ OPRL1 P41146 2/20 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
SCHEMBL26041399 1.00 SIGMAR1 (0.33) SIGMAR1OPRL1
SCHEMBL26039316 0.87 SIGMAR1 (0.31) SIGMAR1
SCHEMBL26041400 0.85 OPRL1 (0.33) SIGMAR1OPRL1
SCHEMBL25359236 0.82 OPRL1 (0.37) SIGMAR1OPRL1
SCHEMBL25359241 0.82 OPRL1 (0.37) SIGMAR1OPRL1
SCHEMBL25355253 0.81 OPRL1 (0.39) OPRL1
SCHEMBL25358488 0.81 OPRL1 (0.39) OPRL1
SCHEMBL25355251 0.81 OPRL1 (0.39) OPRL1
SCHEMBL26039578 0.81 — —
SCHEMBL31387389 0.81 SIGMAR1 (0.34) 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
Send feedback