SCHEMBL9040966

SCHEMBL9040966

CCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(Br)cc2-c2nnn[nH]2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.36
AGTR2 P50052 3/20 0.36
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL9041053 0.91 AGTR2 (0.38) AGTR1AGTR2HTR6
SCHEMBL9039769 0.88 AGTR2 (0.45) AGTR1AGTR2
SCHEMBL9041470 0.88 AGTR1 (0.36) AGTR1AGTR2NOS1NOS2HTR6
SCHEMBL9042800 0.83 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL9040058 0.83 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL9041271 0.83 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL9041886 0.82 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL9854231 0.81 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9040417 0.80 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL9043514 0.78 AGTR1 (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed