SCHEMBL9552245

SCHEMBL9552245

CCCn1nc(C(=O)C2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.40
SLC33A1 O00400 2/20 0.38
AGTR2 P50052 1/20 0.37

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
SCHEMBL9552499 0.95 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9552383 0.94 AGTR1 (0.43) AGTR1SLC33A1AGTR2
SCHEMBL9552739 0.94 SLC33A1 (0.38) AGTR1SLC33A1AGTR2
SCHEMBL9552150 0.94 AGTR1 (0.43) AGTR1SLC33A1AGTR2
SCHEMBL9552663 0.91 TRPV1 (0.36) AGTR1SLC33A1AGTR2
SCHEMBL7341926 0.91 AGTR1 (0.33) AGTR1SLC33A1AGTR2
SCHEMBL7335539 0.91 AGTR1 (0.32) AGTR1SLC33A1
SCHEMBL9552897 0.90 AGTR1 (0.34) AGTR1SLC33A1AGTR2
SCHEMBL7346513 0.90 AGTR1 (0.32) AGTR1SLC33A1AGTR2
SCHEMBL7343133 0.90 AGTR1 (0.33) AGTR1SLC33A1AGTR2

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-5229406-A Treatment of glaucoma G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5140036-A Hypotensive agents; congestive heart failure; angiotensin antagonists G. D. SEARLE & CO. (US) 1992-08-18 US disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed