SCHEMBL26004354

SCHEMBL26004354

Cc1ncc(CN2CCC3(CC2)OC(C(N)=O)c2ccc(Cl)cc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.49
▸ PRCP P42785 3/20 0.38
▸ F10 P00742 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL26014956 0.91 SIGMAR1 (0.46) SIGMAR1PRCPF10
SCHEMBL26004667 0.90 SIGMAR1 (0.45) SIGMAR1PRCPF10
SCHEMBL26014541 0.90 SIGMAR1 (0.45) SIGMAR1PRCPF10
SCHEMBL25360180 0.89 DRD4 (0.45) SIGMAR1
SCHEMBL26004281 0.89 DRD4 (0.45) SIGMAR1
SCHEMBL26004590 0.89 SIGMAR1 (0.46) SIGMAR1PRCP
SCHEMBL26015093 0.87 SIGMAR1 (0.48) SIGMAR1PRCPKDM4EALDH1A1
SCHEMBL26014328 0.86 SIGMAR1 (0.44) SIGMAR1PRCPF10
SCHEMBL26015090 0.86 SIGMAR1 (0.44) SIGMAR1PRCP
SCHEMBL26013583 0.86 SIGMAR1 (0.46) SIGMAR1PRCPALDH1A1

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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