SCHEMBL26004665

SCHEMBL26004665

NC(=O)c1cccc(CN2CCC3(CC2)OC(C(N)=O)c2ccc(Cl)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.50
▸ OPRK1 P41145 5/20 0.49
▸ OPRM1 P35372 4/20 0.49
▸ OPRD1 P41143 1/20 0.49
▸ CHRM2 P08172 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ CNR1 P21554 3/20 0.44
▸ CNR2 P34972 1/20 0.42
▸ EBP Q15125 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.41

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
SCHEMBL26004428 0.91 SIGMAR1 (0.48) SIGMAR1OPRK1OPRM1OPRD1CHRM2
SCHEMBL26004590 0.83 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1EBPSLC18A3
SCHEMBL26014211 0.83 SIGMAR1 (0.46) SIGMAR1
SCHEMBL26014956 0.83 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1EBPSLC18A3
SCHEMBL26004738 0.82 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1OPRD1
SCHEMBL26015093 0.82 SIGMAR1 (0.48) SIGMAR1OPRD1CHRM2CHRM3
SCHEMBL26004354 0.82 SIGMAR1 (0.49) SIGMAR1
SCHEMBL25361889 0.81 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1OPRD1EBP
SCHEMBL26014001 0.81 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1OPRD1EBP
SCHEMBL26004429 0.81 SIGMAR1 (0.46) SIGMAR1OPRK1OPRM1OPRD1EBP

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
Send feedback