SCHEMBL8014752

SCHEMBL8014752

COc1nc2c(O)cccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.43
GAA P10253 7/20 0.43
SI P14410 7/20 0.43
MGAM2 Q2M2H8 7/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
PARP1 P09874 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
COASY Q13057 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4420446 0.80 ALDH1A1 (0.55) PARP1CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL3884588 0.79 PARP1 (0.59) MGAMGAASIMGAM2GRIN1
SCHEMBL7963795 0.79 TDP1 (0.50) MGAMGAASIMGAM2PARP1
SCHEMBL3962251 0.79 ALOX15 (0.37) MGAMGAASIMGAM2PARP1
SCHEMBL23122996 0.79 NQO2 (0.38) MGAMGAASIMGAM2PARP1
SCHEMBL5702776 0.78 GRIN1 (0.44) MGAMGAASIMGAM2GRIN1
SCHEMBL3974201 0.76 CBFB (0.44) MGAMGAASIMGAM2PARP1
SCHEMBL24512711 0.76 PKN1 (0.61) GAAPARP1KDM4EALOX15
SCHEMBL4314003 0.75 ACHE (0.46) MGAMGAASIMGAM2GRIN1
SCHEMBL3972775 0.75 PARP1 (0.36) PARP1CYP2D6CYP2C19ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed