SCHEMBL5792113

SCHEMBL5792113

Cc1ccccc1-c1nc2ccc(Oc3ccc(F)cc3)cc2c(=O)n1Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.59
▸ CYP2D6 P10635 3/20 0.56
▸ CASR P41180 4/20 0.46
▸ CYP11B2 P19099 1/20 0.44
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HIF1A Q16665 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
Iodide SCHEMBL5792092 0.82 GHSR (0.55) GHSRCYP2D6CASRSMN1; SMN2KCNH2
SCHEMBL5791447 0.82 CYP2D6 (0.53) CYP2D6GRIN1GRIN2BPKMKDM4E
SCHEMBL5794704 0.79 CYP2D6 (0.55) GHSRCYP2D6CASRGRIN1GRIN2B
SCHEMBL5792841 0.77 GHSR (0.65) GHSRCYP2D6CASRCYP3A4KCNH2
SCHEMBL5819936 0.76 GHSR (0.58) GHSRCYP2D6CASRCYP3A4KCNH2
SCHEMBL5791517 0.74 GHSR (0.75) GHSRCYP2D6CASRALDH1A1HSD17B10
SCHEMBL12788321 0.73 POLB (0.59) GHSRCYP2D6KDM4EALDH1A1HSD17B10
SCHEMBL6308155 0.73 BRD4 (0.47) GHSRCYP2D6KDM4EALDH1A1HSD17B10
SCHEMBL5823984 0.72 CYP2D6 (0.76) GHSRCYP2D6CYP3A4KCNH2
SCHEMBL5750922 0.72 CASR (0.83) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 — — WO disclosed
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