SCHEMBL8020030

SCHEMBL8020030

Cc1cc(OC(=O)OCC(C)C)cc(Cl)c1C[C@H](N)C(=O)N1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
TSHR P16473 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 5/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD4 P21917 1/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 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
SCHEMBL8024600 1.00 OPRK1 (0.53) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8024602 1.00 OPRK1 (0.53) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8018125 0.94 OPRK1 (0.60) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8017023 0.94 OPRK1 (0.60) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8017026 0.94 OPRK1 (0.60) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8017672 0.92 OPRK1 (0.55) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8007366 0.92 OPRK1 (0.55) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8017670 0.92 OPRK1 (0.55) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8021628 0.91 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRL3MBTL1
SCHEMBL8021630 0.91 OPRK1 (0.58) OPRK1OPRM1OPRD1TSHRL3MBTL1

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