SCHEMBL26014541

SCHEMBL26014541

CNc1ncc(CN2CCC3(CC2)OC(C(N)=O)c2ccc(Cl)cc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.45
▸ F10 P00742 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PRCP P42785 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
SCHEMBL26004354 0.90 SIGMAR1 (0.49) SIGMAR1F10PRCP
SCHEMBL26014956 0.89 SIGMAR1 (0.46) SIGMAR1F10MAPTPRCP
SCHEMBL26004667 0.88 SIGMAR1 (0.45) SIGMAR1F10PRCP
SCHEMBL26004590 0.86 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26004550 0.84 SIGMAR1 (0.45) SIGMAR1F10PRCP
SCHEMBL26013583 0.84 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26014211 0.84 SIGMAR1 (0.46) SIGMAR1F10MAPT
SCHEMBL26015093 0.83 SIGMAR1 (0.48) SIGMAR1PRCP
SCHEMBL26004428 0.82 SIGMAR1 (0.48) SIGMAR1F10
SCHEMBL25361889 0.82 SIGMAR1 (0.46) SIGMAR1PRCP

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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