SCHEMBL7480936

SCHEMBL7480936

O=c1[nH]c2cc(Cl)ccc2n(C2CCCCC2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.59
OPRM1 P35372 7/20 0.59
OPRD1 P41143 5/20 0.59
OPRK1 P41145 5/20 0.59
DRD2 P14416 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
DRD3 P35462 1/20 0.50
CHRM1 P11229 4/20 0.48
SIRT2 Q8IXJ6 1/20 0.48

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
SCHEMBL1271627 0.94 OPRL1 (0.70) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL9395829 0.89 OPRM1 (0.64) OPRL1OPRM1OPRD1OPRK1
SCHEMBL9395676 0.83 OPRL1 (0.71) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL1271664 0.83 OPRM1 (0.74) OPRL1OPRM1OPRD1OPRK1DRD2
SCHEMBL4444487 0.80 CHRM1 (0.72) OPRM1OPRK1DRD2HTR1AADRA2A
SCHEMBL9395659 0.80 OPRL1 (0.55) OPRL1OPRM1OPRD1OPRK1SIRT2
SCHEMBL8612934 0.80 ALDH1A1 (0.59) OPRL1OPRM1OPRD1OPRK1SIRT2
SCHEMBL30910142 0.80 OPRL1 (0.86) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL26092381 0.80 OPRL1 (0.86) OPRL1OPRM1OPRD1OPRK1CHRM1
SCHEMBL9395620 0.79 SIRT2 (0.77) OPRL1OPRM1OPRD1OPRK1SIRT2

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-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed