SCHEMBL26004428

SCHEMBL26004428

NC(=O)c1ccc(CN2CCC3(CC2)OC(C(N)=O)c2ccc(Cl)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.48
▸ IP6K1 Q92551 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ CHRM2 P08172 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL26004665 0.91 SIGMAR1 (0.50) SIGMAR1OPRM1OPRD1OPRK1CHRM2
SCHEMBL26014211 0.89 SIGMAR1 (0.46) SIGMAR1IP6K1F10
SCHEMBL26004590 0.86 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1
SCHEMBL26014956 0.85 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1F10
SCHEMBL26014836 0.85 SIGMAR1 (0.46) SIGMAR1GAA
SCHEMBL26004354 0.84 SIGMAR1 (0.49) SIGMAR1F10
SCHEMBL25361889 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL26014001 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL26013583 0.84 SIGMAR1 (0.46) SIGMAR1GAAOPRM1OPRD1
SCHEMBL26004429 0.84 SIGMAR1 (0.46) SIGMAR1OPRM1OPRD1OPRK1

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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