SCHEMBL26015093

SCHEMBL26015093

Cc1cc(CN2CCC3(CC2)OC(C(N)=O)c2ccc(Cl)cc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.48
▸ PRCP P42785 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ DRD2 P14416 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 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 0.87 SIGMAR1 (0.49) SIGMAR1PRCPKDM4EALDH1A1
SCHEMBL26014956 0.84 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26004590 0.83 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26004667 0.83 SIGMAR1 (0.45) SIGMAR1PRCP
SCHEMBL26014541 0.83 SIGMAR1 (0.45) SIGMAR1PRCP
SCHEMBL26004428 0.83 SIGMAR1 (0.48) SIGMAR1OPRD1CHRM2CHRM3
SCHEMBL26004734 0.83 SIGMAR1 (0.46) SIGMAR1PRCPKDM4E
SCHEMBL26013583 0.83 SIGMAR1 (0.46) SIGMAR1PRCPALDH1A1OPRD1DRD2
SCHEMBL26004355 0.83 SIGMAR1 (0.44) SIGMAR1PRCPOPRD1
SCHEMBL26015090 0.83 SIGMAR1 (0.44) SIGMAR1PRCPOPRD1

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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