SCHEMBL11470004

SCHEMBL11470004

COc1ccc(N(CC2CC2)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
ACHE P22303 1/20 0.43
PTGIR P43119 2/20 0.43
PTGDR Q13258 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
OPRM1 P35372 6/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
EPHX2 P34913 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL11478406 0.85 ACHE (0.38) DRD2DRD3ACHEPTGIRPTGDR
SCHEMBL9117266 0.81 GPR88 (0.42) ACHEPTGIRPTGDROPRM1POLB
SCHEMBL15955871 0.79 KMT2A (0.48) ACHEOPRM1POLBTSHRCHRM5
SCHEMBL9071941 0.79 KMT2A (0.44) PARP10POLBALOX5
SCHEMBL14577947 0.79 TSHR (0.49) DRD2DRD3CA1CA2PARP1
SCHEMBL11156756 0.76 KEAP1 (0.54) CA1CA2PARP1PARP10PARP2
SCHEMBL9071787 0.76 QPCT (0.46) ACHEPARP10POLBALOX5
SCHEMBL3033986 0.75 OPRM1 (0.49) OPRM1
SCHEMBL7534269 0.75 TSHR (0.46) DRD2DRD3CA1CA2PARP1
SCHEMBL11725723 0.74 CA1 (0.43) DRD2DRD3CA1CA2PARP1

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-4202974-A Process for preparing 3,4-dihydro-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 US disclosed
US-4202974-A Process for preparing 3,4-dihydro-2(1H)-quinazolinone derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-05-13 US disclosed