SCHEMBL9552170

SCHEMBL9552170

CCCCc1nc(Cc2ccc(-c3ccccc3C#N)cc2)n(CCCC)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.64
PPARG P37231 2/20 0.48
AGTR2 P50052 3/20 0.46
ACHE P22303 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
SCHEMBL7653378 0.85 AGTR1 (0.63) AGTR1PPARGAGTR2ACHE
SCHEMBL9552398 0.80 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL7650733 0.80 AGTR1 (0.58) AGTR1PPARGAGTR2ACHE
SCHEMBL7661202 0.78 PPARG (0.62) AGTR1PPARGAGTR2ACHE
SCHEMBL9552115 0.78 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9552668 0.78 AGTR1 (0.64) AGTR1PPARGAGTR2
SCHEMBL9552619 0.78 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9553514 0.77 AGTR1 (0.61) AGTR1PPARGAGTR2
SCHEMBL9552271 0.76 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9553266 0.76 AGTR1 (0.61) AGTR1AGTR2

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