SCHEMBL5162567

SCHEMBL5162567

O=C(Cl)OC1NCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PRCP P42785 7/20 0.47
GAA P10253 1/20 0.46
OPRM1 P35372 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GID4 Q8IVV7 1/20 0.43
SLC22A1 O15245 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL5161528 0.87 TSHR (0.54) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL16223395 0.87 TSHR (0.58) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL758937 0.87 TSHR (0.58) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL16223438 0.87 TSHR (0.58) TSHRNPSR1PRCPGAAOPRM1
Bromide SCHEMBL9255826 0.84 TSHR (0.51) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL27907751 0.83 TSHR (0.50) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL30519196 0.80 OPRM1 (0.54) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL1404150 0.77 TSHR (0.71) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL327054 0.76 PRCP (0.56) TSHRNPSR1PRCPGAAOPRM1
SCHEMBL31062461 0.76 PRCP (0.56) TSHRNPSR1PRCPGAAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763516-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002763-A2 SUBSTITUTED TETRAHYDROISOCHINOLINES USED IN THE FORM OF MMP INHIBITORS, METHOD FOR THE PRODUCTION AND USE THEREOF IN THE FORM OF DRAGS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed