SCHEMBL7671741

SCHEMBL7671741

CCCCc1nc2ccc(C(=O)OCC)cc2n1Cc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.61
AGTR2 P50052 10/20 0.61
RAB9A P51151 1/20 0.54
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE2A O00408 1/20 0.44

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
SCHEMBL6168858 0.94 AGTR1 (0.53) AGTR1AGTR2RAB9ATP53POLB
SCHEMBL169971 0.89 KDM4E (0.53) AGTR1AGTR2PDE2A
SCHEMBL6171683 0.88 AGTR1 (0.78) AGTR1AGTR2RAB9ATP53POLB
SCHEMBL7669972 0.88 AGTR1 (0.52) AGTR1AGTR2PDE2A
SCHEMBL7671692 0.88 AGTR1 (0.58) AGTR1AGTR2RAB9A
SCHEMBL6169187 0.86 AGTR1 (0.52) AGTR1AGTR2PDE2A
SCHEMBL6168445 0.82 AGTR1 (0.53) AGTR1AGTR2RAB9AMEN1KMT2A
SCHEMBL7668569 0.82 TDP1 (0.52) AGTR1AGTR2TP53MEN1KMT2A
SCHEMBL7676515 0.82 PPARG (0.55) AGTR1AGTR2TP53POLBPDE2A
SCHEMBL6169463 0.82 MEN1 (0.50) RAB9ATP53POLBMEN1KMT2A

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