Sugi Predict

Sugi Predict / Compounds / SCHEMBL7400478

SCHEMBL7400478

SCHEMBL7400478

CCCc1nc(CC)c(C(=O)OCC#CC(=O)NCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 16/20 0.56
▸ AGTR2 P50052 15/20 0.56
▸ AGT P01019 1/20 0.45

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
SCHEMBL9387490 0.86 AGTR1 (0.59) AGTR1AGTR2AGT
SCHEMBL9385591 0.86 AGTR1 (0.61) AGTR1AGTR2AGT
SCHEMBL9068740 0.85 AGTR1 (0.55) AGTR1AGTR2AGT
SCHEMBL243845 0.85 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9276766 0.85 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL14855449 0.84 AGTR1 (0.62) AGTR1AGTR2AGT
SCHEMBL9276943 0.84 AGTR1 (0.57) AGTR1AGTR2AGT
SCHEMBL7303260 0.83 AGTR1 (0.61) AGTR1AGTR2AGT
SCHEMBL7400468 0.83 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9277433 0.82 AGTR1 (0.55) AGTR1AGTR2AGT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545651-A HYPOTENSIVE AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-13 — — US disclosed
US-5395844-A Hypotensive agents; congestive heart failure THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-03-07 — — US disclosed
WO-1994028896-A1 IMIDAZOLE 5-POSITION SUBSTITUTED ANGIOTENSIN II ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-12-22 — — WO disclosed