SCHEMBL26014001

SCHEMBL26014001

NC(=O)[C@@H]1OC2(CCN(Cc3cn[nH]c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.46
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 2/20 0.38
▸ EBP Q15125 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.38
▸ PRCP P42785 3/20 0.37
▸ OPRD1 P41143 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
SCHEMBL26004429 1.00 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1EBPSLC18A3
SCHEMBL25361889 1.00 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1EBPSLC18A3
SCHEMBL26004590 0.86 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1EBPSLC18A3
SCHEMBL26014956 0.85 SIGMAR1 (0.46) SIGMAR1OPRM1OPRK1EBPSLC18A3
SCHEMBL26004354 0.84 SIGMAR1 (0.49) SIGMAR1PRCP
SCHEMBL26013277 0.84 SIGMAR1 (0.41) SIGMAR1OPRM1OPRK1PRCPOPRD1
SCHEMBL26004428 0.84 SIGMAR1 (0.48) SIGMAR1OPRM1OPRK1OPRD1
SCHEMBL26013583 0.83 SIGMAR1 (0.46) SIGMAR1OPRM1PRCPOPRD1
SCHEMBL26004667 0.82 SIGMAR1 (0.45) SIGMAR1PRCP
SCHEMBL26014541 0.82 SIGMAR1 (0.45) 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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