SCHEMBL7334453

SCHEMBL7334453

CCCn1nc(C(C)CC)nc1Cc1ccc(-c2ncccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AGTR1 P30556 5/20 0.36
AGTR2 P50052 3/20 0.36
PPARG P37231 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL7332186 0.94 AGTR1 (0.41) TDP1KDM4EAGTR1AGTR2PPARG
SCHEMBL7341181 0.94 AGTR1 (0.38) TDP1KDM4EAGTR1AGTR2
SCHEMBL7338584 0.92 KDM4E (0.39) TDP1KDM4EAGTR1AGTR2PPARG
SCHEMBL7339733 0.87 AGTR1 (0.42) TDP1KDM4EAGTR1AGTR2PPARG
SCHEMBL7336202 0.86 AGTR1 (0.39) TDP1KDM4EAGTR1AGTR2
SCHEMBL9552038 0.85 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL7344708 0.85 KDM4E (0.41) TDP1KDM4EAGTR1AGTR2PPARG
SCHEMBL7339142 0.85 AGTR1 (0.39) TDP1KDM4EAGTR1AGTR2PPARG
SCHEMBL7344280 0.85 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL7332613 0.84 KDM4E (0.40) TDP1KDM4EAGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090828-A ARTHERIOSCLEROSIS REITZ DAVID B (US) 2000-07-18 US disclosed
US-5451593-A Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5451591-A Method of using 5-arylheteroarylalkyl-1,3 5-trisubstituted-1,24-triazole compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1995-09-19 US disclosed
US-5196537-A Angiotensin/II/ antagonists; hypotensive agents G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
WO-1992016523-A1 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-01 WO disclosed
EP-0504888-A1 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-09-23 EP disclosed