SCHEMBL8024012

SCHEMBL8024012

N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.69
OPRD1 P41143 1/20 0.69
OPRK1 P41145 1/20 0.69
HDAC8 Q9BY41 5/20 0.60
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 1/20 0.54
NOTUM Q6P988 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 3/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
DPP4 P27487 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2374151 0.83 TSHR (0.67) OPRM1OPRD1OPRK1HDAC8MEN1
SCHEMBL2374156 0.83 TSHR (0.67) OPRM1OPRD1OPRK1HDAC8MEN1
SCHEMBL8017504 0.82 OPRK1 (0.77) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL8019695 0.81 OPRK1 (1.00) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL8017684 0.81 OPRK1 (1.00) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL8007390 0.81 OPRK1 (1.00) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL26982499 0.79 FPR1 (0.60) OPRM1OPRD1OPRK1HDAC8MEN1
SCHEMBL27126281 0.79 FPR1 (0.60) OPRM1OPRD1OPRK1HDAC8MEN1
SCHEMBL10422952 0.76 KMT2A (0.65) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL10422953 0.76 KMT2A (0.65) OPRM1OPRD1OPRK1MEN1KMT2A

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