SCHEMBL8007788

SCHEMBL8007788

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.66
OPRM1 P35372 2/20 0.66
OPRD1 P41143 2/20 0.66
TSHR P16473 2/20 0.47
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
NOTUM Q6P988 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAOB P27338 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL8007787 1.00 OPRK1 (0.66) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8020146 1.00 OPRK1 (0.66) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8017436 0.94 OPRK1 (0.76) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8024577 0.94 OPRK1 (0.76) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8017432 0.94 OPRK1 (0.76) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8021628 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8021630 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8021140 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8021137 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRLMNA
SCHEMBL8019698 0.93 OPRK1 (0.58) 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