SCHEMBL8018252

SCHEMBL8018252

CCOC(=O)Oc1cc(C)c(C[C@@H](N)C(=O)N2CCc3ccccc32)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
ALDH1A1 P00352 4/20 0.47
NOTUM Q6P988 1/20 0.47
TSHR P16473 2/20 0.45
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL8019654 1.00 OPRK1 (0.63) OPRK1OPRM1OPRD1ALDH1A1NOTUM
SCHEMBL8018248 1.00 OPRK1 (0.63) OPRK1OPRM1OPRD1ALDH1A1NOTUM
SCHEMBL8024233 0.94 OPRK1 (0.72) OPRK1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL8021164 0.94 OPRK1 (0.72) OPRK1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL8021161 0.94 OPRK1 (0.72) OPRK1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL8017672 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1ALDH1A1NOTUM
SCHEMBL8007366 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1ALDH1A1NOTUM
SCHEMBL8017670 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1ALDH1A1NOTUM
SCHEMBL8007601 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1ALDH1A1NOTUM
SCHEMBL8007598 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1ALDH1A1NOTUM

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
US-6114381-A TO CONTROL BRAIN DAMAGE ASSOCIATED WITH ANOXIA OR ISCHEMIA WHICH TYPICALLY FOLLOWS STROKE, CARDIAC ARREST OR PERINATAL ASPHYXIA; COMPOUND IS AN ANTAGONIST TO INHIBIT EXCITOTOXIC ACTIONS AT EXCITATORY AMINO ACID RECEPTOR SITES G. D. SEARLE & CO. (US) 2000-09-05 US disclosed