SCHEMBL9552107

SCHEMBL9552107

C#CCCn1nc(C(=O)CC2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.33
AGTR2 P50052 1/20 0.33
SLC33A1 O00400 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL9552897 0.90 AGTR1 (0.34) AGTR1AGTR2SLC33A1TRPV1
SCHEMBL9552163 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9553396 0.88 AGTR1 (0.37) AGTR1AGTR2SLC33A1TRPV1PPARG
SCHEMBL9553334 0.88 AGTR1 (0.33) AGTR1AGTR2SLC33A1TRPV1PPARG
SCHEMBL9528393 0.88 AGTR1 (0.36) AGTR1AGTR2PPARG
SCHEMBL9552067 0.88 AGTR1 (0.42) AGTR1AGTR2SLC33A1PPARG
SCHEMBL9552502 0.87 AGTR1 (0.42) AGTR1AGTR2SLC33A1PPARG
SCHEMBL9552199 0.86 AGTR1 (0.39) AGTR1
SCHEMBL9552024 0.86 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9552784 0.86 SLC33A1 (0.33) AGTR1AGTR2SLC33A1TRPV1PPARG

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