SCHEMBL26004752

SCHEMBL26004752

Cc1nc(C)c(CN2CCC3(CC2)OC(C(N)=O)c2ccc(Cl)cc23)o1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.45
▸ PRCP P42785 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ OPRL1 P41146 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL26004734 0.84 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26015090 0.84 SIGMAR1 (0.44) SIGMAR1PRCPOPRD1
SCHEMBL26004358 0.84 SIGMAR1 (0.44) SIGMAR1PRCP
SCHEMBL26004359 0.83 SIGMAR1 (0.44) SIGMAR1PRCPGAAALOX12SMN1; SMN2
SCHEMBL26004354 0.83 SIGMAR1 (0.49) SIGMAR1PRCP
SCHEMBL26015271 0.83 SIGMAR1 (0.45) SIGMAR1PRCP
SCHEMBL26004355 0.82 SIGMAR1 (0.44) SIGMAR1PRCPOPRD1
SCHEMBL26004598 0.82 SIGMAR1 (0.44) SIGMAR1PRCP
SCHEMBL26014965 0.82 SIGMAR1 (0.41) SIGMAR1PRCPOPRD1
SCHEMBL26004551 0.81 SIGMAR1 (0.44) 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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