SCHEMBL8081241

SCHEMBL8081241

CCCCC(=O)Nc1cc[nH]c(=O)c1NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.44
LTB4R2 Q9NPC1 4/20 0.39
SOAT1 P35610 2/20 0.38
AGTR1 P30556 9/20 0.36
AGTR2 P50052 2/20 0.36
GSK3A P49840 1/20 0.35
ABCB11 O95342 1/20 0.35
GP6 Q9HCN6 1/20 0.35

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
SCHEMBL8081260 0.86 AGTR1 (0.37) LTB4R2AGTR1AGTR2
SCHEMBL8702070 0.83 JAK2 (0.37) AGTR1AGTR2
SCHEMBL9263754 0.81 AGTR1 (0.44) BDKRB1AGTR1AGTR2
SCHEMBL7575469 0.80 BDKRB1 (0.44) BDKRB1LTB4R2SOAT1AGTR1AGTR2
SCHEMBL4609709 0.80 LTB4R2 (0.60) BDKRB1LTB4R2
SCHEMBL9479331 0.79 AGTR1 (0.44) BDKRB1LTB4R2AGTR1AGTR2
SCHEMBL8088507 0.78 JAK2 (0.35) AGTR1AGTR2
SCHEMBL8953441 0.78 BDKRB1 (0.38) BDKRB1
SCHEMBL7570660 0.72 PTGER1 (0.41) BDKRB1SOAT1
SCHEMBL9709753 0.72 LTB4R2 (0.42) LTB4R2AGTR1AGTR2ABCB11GP6

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-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed