SCHEMBL7676791

SCHEMBL7676791

CCCc1nc2ccc(C(=O)N3CCOCC3)cc2n1Cc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
PTGES O14684 1/20 0.47
AGTR2 P50052 1/20 0.46
PPARG P37231 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
ALDH1A2 O94788 1/20 0.45
ALDH2 P05091 1/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
HPGD P15428 2/20 0.45
CNR2 P34972 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.43
ACSS2 Q9NR19 1/20 0.43

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
SCHEMBL7671284 0.95 AGTR1 (0.48) AGTR1AGTR2TDP1ALDH1A1HPGD
SCHEMBL6170023 0.91 AGTR1 (0.49) AGTR1PTGESAGTR2PPARGTDP1
SCHEMBL7675930 0.91 AGTR1 (0.49) AGTR1PTGESAGTR2PPARGTDP1
SCHEMBL6168497 0.89 PTGES (0.47) AGTR1PTGESAGTR2PPARGTDP1
SCHEMBL7673014 0.87 ALDH1A1 (0.49) AGTR1PTGESAGTR2PPARGTDP1
SCHEMBL6169460 0.87 TDP1 (0.50) AGTR1PTGESAGTR2PPARGTDP1
SCHEMBL7676367 0.85 AGTR1 (0.49) AGTR1AGTR2TDP1ALDH1A1ALDH1A2
SCHEMBL7676648 0.84 PDE2A (0.57) AGTR1AGTR2TDP1ALDH1A1MAPT
SCHEMBL6170375 0.83 AGTR1 (0.62) AGTR1PTGESAGTR2PPARGTDP1
SCHEMBL7671121 0.83 AGTR1 (0.54) AGTR1PTGESAGTR2PPARGTDP1

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