SCHEMBL1652186

SCHEMBL1652186

CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2=O

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 17/20 0.90
▸ AGTR1 P30556 16/20 0.90

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
Pratosartan SCHEMBL29657512 0.86 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL93596 0.84 AGTR2 (0.71) AGTR2AGTR1
SCHEMBL9077584 0.80 AGTR1 (0.76) AGTR2AGTR1
SCHEMBL29392553 0.76 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL20257334 0.74 AGTR1 (0.89) AGTR2AGTR1
SCHEMBL29394346 0.74 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL29394324 0.74 AGTR1 (0.89) AGTR2AGTR1
Olmesartan SCHEMBL677160 0.74 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL23861274 0.73 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL13449213 0.73 GP6 (0.78) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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