SCHEMBL6010348

SCHEMBL6010348

COC(=O)OC1Cc2ccccc2CN1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.44
PNMT P11086 4/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6010092 1.00 PRCP (0.44) PRCPPNMTOPRM1OPRD1OPRK1
SCHEMBL6298781 0.84 PRCP (0.42) PRCPPNMTMEN1KMT2A
SCHEMBL27472422 0.84 PRCP (0.42) PRCPPNMTMEN1KMT2A
SCHEMBL17866218 0.84 PNMT (0.40) PNMT
SCHEMBL1564243 0.82 PRCP (0.47) PRCPPNMTMEN1KMT2A
SCHEMBL1022496 0.82 PRCP (0.47) PRCPPNMTMEN1KMT2A
SCHEMBL1025366 0.82 PRCP (0.47) PRCPPNMTMEN1KMT2A
Hydrochloric Acid SCHEMBL8078996 0.81 PRCP (0.46) PRCPPNMTMEN1KMT2A
SCHEMBL7827898 0.80 PNMT (0.39) PRCPPNMTMEN1KMT2A
SCHEMBL9021927 0.79 KMT2A (0.43) PRCPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861236-B2 CYCLIC AND HETEROCYCLIC N-SUBSTITUTED ALPHA-IMINOHYDROXAMIC AND CARBOXYLIC ACIDS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-08-16 EP disclosed
EP-0861236-B1 CYCLIC AND HETEROCYCLIC N-SUBSTITUTED ALPHA-IMINOHYDROXAMIC AND CARBOXYLIC ACIDS HOECHST AG (DE) 2002-02-13 EP disclosed
EP-0578163-A1 Process for the preparation of D,L or D,L-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-12 EP disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 EP disclosed
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 WO disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 WO disclosed