SCHEMBL8007616

SCHEMBL8007616

Cc1cc(OC(=O)OCC(C)C)cc(Br)c1CC(N)C(=O)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
LMNA P02545 5/20 0.43
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL8017938 1.00 OPRK1 (0.53) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8007619 1.00 OPRK1 (0.53) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8018125 0.94 OPRK1 (0.60) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8017023 0.94 OPRK1 (0.60) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8017026 0.94 OPRK1 (0.60) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8007601 0.92 OPRK1 (0.55) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8021618 0.92 OPRK1 (0.55) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8007598 0.92 OPRK1 (0.55) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8021137 0.91 OPRK1 (0.58) OPRK1OPRM1OPRD1LMNATSHR
SCHEMBL8021140 0.91 OPRK1 (0.58) OPRK1OPRM1OPRD1LMNATSHR

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