SCHEMBL7673045

SCHEMBL7673045

CCCCc1nc2ccc(C(=O)OCC)cc2n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.60
AGTR2 P50052 7/20 0.60
DRD2 P14416 2/20 0.55
TBXA2R P21731 2/20 0.55
TLR7 Q9NYK1 2/20 0.53
TLR8 Q9NR97 1/20 0.53

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
SCHEMBL9198766 0.87 AGTR1 (0.79) AGTR1AGTR2DRD2TBXA2RTLR7
SCHEMBL9122418 0.86 AGTR1 (0.58) AGTR1AGTR2DRD2TBXA2RTLR7
SCHEMBL9087920 0.85 AGTR1 (0.76) AGTR1AGTR2DRD2TBXA2R
SCHEMBL9198925 0.85 AGTR1 (0.78) AGTR1AGTR2DRD2TBXA2RTLR7
SCHEMBL6169805 0.85 PPARG (0.56) AGTR1AGTR2DRD2TBXA2R
SCHEMBL9275378 0.84 AGTR1 (0.78) AGTR1AGTR2DRD2TBXA2RTLR7
SCHEMBL6171210 0.84 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL6170958 0.83 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL8393751 0.83 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL169971 0.82 KDM4E (0.53) AGTR1AGTR2

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-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed