SCHEMBL26014836

SCHEMBL26014836

Cn1cc(CN2CCC3(CC2)O[C@@H](C(N)=O)c2ccc(Cl)cc23)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.46
▸ PRCP P42785 3/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ GAA P10253 1/20 0.36

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
SCHEMBL26004738 0.87 SIGMAR1 (0.46) SIGMAR1OPRL1
SCHEMBL26004428 0.85 SIGMAR1 (0.48) SIGMAR1GAA
SCHEMBL26013583 0.84 SIGMAR1 (0.46) SIGMAR1PRCPGAA
SCHEMBL26004593 0.83 PRCP (0.38) SIGMAR1PRCP
SCHEMBL26014211 0.83 SIGMAR1 (0.46) SIGMAR1
SCHEMBL26014113 0.82 SIGMAR1 (0.43) SIGMAR1OPRL1
SCHEMBL26004354 0.81 SIGMAR1 (0.49) SIGMAR1PRCP
SCHEMBL26004590 0.81 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26014956 0.80 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26004665 0.80 SIGMAR1 (0.50) 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-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
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