SCHEMBL9040353

SCHEMBL9040353

CCCc1nc2cccnc2n1Cc1ccc(-n2cc(Cl)cc2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.47
AGTR2 P50052 2/20 0.47
LMNA P02545 4/20 0.44
ENPP2 Q13822 4/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TBXA2R P21731 1/20 0.43
MAPT P10636 5/20 0.42
TP53 P04637 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARG P37231 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9042107 0.94 AGTR1 (0.49) AGTR1AGTR2LMNAENPP2PDE4A
SCHEMBL9040194 0.85 AGTR2 (0.48) AGTR1AGTR2
SCHEMBL9042554 0.81 MAPT (0.45) AGTR1AGTR2LMNAENPP2PDE4A
SCHEMBL9044530 0.80 AGTR1 (0.51) AGTR1AGTR2LMNAENPP2PDE4A
SCHEMBL9042940 0.80 AGTR2 (0.43) AGTR1AGTR2
SCHEMBL9042834 0.79 AGTR1 (0.50) AGTR1AGTR2LMNAENPP2PDE4A
SCHEMBL9043993 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9043343 0.77 AGTR1 (0.50) AGTR1AGTR2LMNAENPP2PDE4A
SCHEMBL9042625 0.77 HTR6 (0.42) AGTR1AGTR2
SCHEMBL9043549 0.76 AGTR2 (0.49) 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