SCHEMBL8021628

SCHEMBL8021628

COC(=O)Oc1cc(C)c(CC(N)C(=O)N2CCc3ccccc32)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.58
OPRM1 P35372 1/20 0.58
OPRD1 P41143 1/20 0.58
TSHR P16473 2/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NOTUM Q6P988 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAOB P27338 1/20 0.41
USP2 O75604 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
SCHEMBL8021630 1.00 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8017672 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8007366 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8017670 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8007787 0.93 OPRK1 (0.66) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8007788 0.93 OPRK1 (0.66) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8020146 0.93 OPRK1 (0.66) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8021636 0.92 OPRK1 (0.60) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8007860 0.92 OPRK1 (0.60) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8021639 0.92 OPRK1 (0.60) OPRK1OPRM1OPRD1TSHRLMNA

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