SCHEMBL30715296

SCHEMBL30715296

CC1(C)COc2cc(Cl)c(CN3OCC(C)(C)C3=O)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
OPRM1 P35372 4/20 0.32
OPRD1 P41143 4/20 0.32
OPRK1 P41145 4/20 0.32
OPRL1 P41146 4/20 0.32
DRD3 P35462 3/20 0.32
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.31
SLC5A2 P31639 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CHRM1 P11229 2/20 0.31

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
SCHEMBL26696495 1.00 BRD4 (0.44) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL26696471 1.00 BRD4 (0.44) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL30715302 1.00 BRD4 (0.44) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL30715297 1.00 BRD4 (0.44) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL11201905 0.89 BRD4 (0.47) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL26696480 0.88 BRD4 (0.43) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL30715289 0.88 BRD4 (0.43) BRD4OPRM1OPRD1OPRK1OPRL1
SCHEMBL30714923 0.88 BRD4 (0.47) BRD4MAP2K1
SCHEMBL30714935 0.84 BRD4 (0.45) BRD4MAP2K1
SCHEMBL26696496 0.84 BRD4 (0.36) BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023227737-A9 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-03-07 WO disclosed
WO-2023227737-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-30 WO disclosed