SCHEMBL9042199

SCHEMBL9042199

CCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2c(Br)ccc2C#N)cc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BCAT2 O15382 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9043244 0.86 AGTR2 (0.43) AGTR1AGTR2
SCHEMBL9041470 0.81 AGTR1 (0.36) AGTR1AGTR2NOS1NOS2
SCHEMBL9040869 0.81 AGTR2 (0.39) AGTR1AGTR2
SCHEMBL9040891 0.81 AGTR2 (0.49) AGTR1AGTR2
SCHEMBL9043353 0.80 AGTR2 (0.42) AGTR1AGTR2
SCHEMBL9041772 0.80 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL9043376 0.79 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL9854218 0.77 AGTR1 (0.44) AGTR1AGTR2KDM4EALDH1A1LMNA
SCHEMBL9043129 0.77 AGTR2 (0.45) AGTR1AGTR2
SCHEMBL9041604 0.76 AGTR2 (0.44) 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
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