SCHEMBL8198317

SCHEMBL8198317

CNC(=O)O[C@@H](CNC(=O)OC(N)=O)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
OPRM1 P35372 2/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
HIF1A Q16665 1/20 0.35
BLM P54132 1/20 0.34
CXCL8 P10145 1/20 0.34
CASP1 P29466 1/20 0.34
PTGFR P43088 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7476504 0.90 AVPR2 (0.44) AVPR2AVPR1AADRB2ADRB1OPRM1
SCHEMBL7465101 0.90 AVPR2 (0.44) AVPR2AVPR1AADRB2ADRB1OPRM1
SCHEMBL7467171 0.90 AVPR2 (0.44) AVPR2AVPR1AADRB2ADRB1OPRM1
SCHEMBL7804157 0.88 ADRB2 (0.39) AVPR2AVPR1AADRB2ADRB1OPRM1
SCHEMBL7796205 0.84 KMT2A (0.43) AVPR2AVPR1AOPRM1
SCHEMBL14625699 0.81 CYP1A2 (0.40) ADRB2ADRB1OPRM1ATMCYP2D6
SCHEMBL2904416 0.79 ADRB1 (0.50) ADRB2ADRB1OPRM1ATMCYP2D6
SCHEMBL7465481 0.79 ADRB1 (0.50) ADRB2ADRB1OPRM1ATMCYP2D6
SCHEMBL7470205 0.79 ADRB1 (0.50) ADRB2ADRB1OPRM1ATMCYP2D6
SCHEMBL7464065 0.76 RAB9A (0.34) AVPR2AVPR1ACYP2D6HIF1ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127412-A TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM, ESPECIALLY AS ANTICONVULSANTS, ANTIEPILEPTIC AND NEUROPROTECTIVE AGENTS AND CENTRALLY ACTING MUSCLE RELAXANTS SK CORPORATION (US) 2000-10-03 US disclosed
US-6103759-A COMPRISING PURE ENANTIOMERIC FORMS, AS WELL AS ENANTIOMERIC MIXTURES, OF (2-(2-CHLOROPHENYL)-2-HYDROXYETHYL)OXYCARBOXAMIDE; USEFUL FOR TRATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SK CORPORATION (US) 2000-08-15 US disclosed
US-5854283-A Halogen substituted carbamate compounds from 2-phenyl-1,2-ethanediol YUKONG LIMITED (KR) 1998-12-29 US disclosed