SCHEMBL9543837

SCHEMBL9543837

CC(C)(C)OC(=O)N[C@H](C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.47
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
DRD2 P14416 3/20 0.41
CXCR3 P49682 1/20 0.40

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
SCHEMBL18635686 0.90 ELANE (0.45) ELANEOPRM1OPRD1OPRK1DRD2
SCHEMBL18635688 0.90 ELANE (0.45) ELANEOPRM1OPRD1OPRK1DRD2
SCHEMBL17031987 0.90 ELANE (0.45) ELANEOPRM1OPRD1OPRK1DRD2
SCHEMBL9544378 0.88 FNTA (0.46) ELANE
SCHEMBL9544383 0.88 FNTA (0.46) ELANE
SCHEMBL9544085 0.86 CTSS (0.48) ATMOPRM1OPRD1OPRK1DRD2
SCHEMBL9544089 0.86 CTSS (0.48) ATMOPRM1OPRD1OPRK1DRD2
SCHEMBL18636117 0.84 ELANE (0.47) ELANEOPRM1OPRD1OPRK1DRD2
SCHEMBL9545046 0.84 FNTA (0.41) ATMOPRM1OPRD1OPRK1DRD2
SCHEMBL9544368 0.84 CTSL (0.44) ELANEATMOPRM1OPRD1OPRK1

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed