SCHEMBL8019698

SCHEMBL8019698

COC(=O)Oc1cc(C)c(C[C@H](N)C(=O)N2CCc3ccccc32)c(Br)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
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL8021137 1.00 OPRK1 (0.58) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8021140 1.00 OPRK1 (0.58) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8007598 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8021618 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8007601 0.94 OPRK1 (0.55) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8017478 0.93 OPRK1 (0.61) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8024367 0.93 OPRK1 (0.61) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8024369 0.93 OPRK1 (0.61) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8007788 0.93 OPRK1 (0.66) OPRK1OPRM1OPRD1SMN1; SMN2LMNA
SCHEMBL8007787 0.93 OPRK1 (0.66) OPRK1OPRM1OPRD1SMN1; SMN2LMNA

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