SCHEMBL7329776

SCHEMBL7329776

O=c1[nH]c2ccccc2n(CC2CC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.51
GRIA2 P42262 2/20 0.51
GRIA3 P42263 2/20 0.51
GRIA4 P48058 2/20 0.51
HPGD P15428 1/20 0.49
OPRM1 P35372 4/20 0.47
OPRK1 P41145 4/20 0.47
OPRL1 P41146 4/20 0.47
OPRD1 P41143 3/20 0.47
PARP1 P09874 2/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR1 P34998 1/20 0.41

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
SCHEMBL739521 0.84 HPGD (0.62) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL30898290 0.80 TSHR (0.57) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL29212238 0.80 TSHR (0.57) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL25275996 0.78 HPGD (0.56) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL25275997 0.78 HPGD (0.56) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL23997240 0.78 HPGD (0.56) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL23997410 0.78 HPGD (0.56) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL25279330 0.78 HPGD (0.56) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL7248358 0.77 HPGD (0.74) HPGDOPRM1OPRK1OPRL1MEN1
SCHEMBL982104 0.77 CYP1A2 (0.69) GRIA1GRIA2GRIA3GRIA4PARP1

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
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed