SCHEMBL8024367

SCHEMBL8024367

COc1cc(C)c(CC(N)C(=O)N2CCc3ccccc32)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.61
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
LMNA P02545 6/20 0.49
SMN1; SMN2 Q16637 7/20 0.47
TSHR P16473 4/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
MAOB P27338 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL8017478 1.00 OPRK1 (0.61) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8024369 1.00 OPRK1 (0.61) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8017118 0.94 OPRK1 (0.69) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8017120 0.94 OPRK1 (0.69) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8011022 0.94 OPRK1 (0.69) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8019698 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8021137 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8021140 0.93 OPRK1 (0.58) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8007860 0.89 OPRK1 (0.60) OPRK1OPRM1OPRD1LMNASMN1; SMN2
SCHEMBL8021639 0.89 OPRK1 (0.60) OPRK1OPRM1OPRD1LMNASMN1; SMN2

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