SCHEMBL7018550

SCHEMBL7018550

CCCCCCC(C(=O)N1CCCC1C(=O)OCc1ccccc1)n1cnc2cc(-c3ccccc3-c3nn[nH]n3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
AGTR1 P30556 6/20 0.39
AGTR2 P50052 1/20 0.39
PPARG P37231 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL7019298 0.86 AGTR1 (0.40) AGTR1AGTR2LTB4R2
SCHEMBL7021954 0.82 AGTR1 (0.42) AGTR1AGTR2LTB4R2
SCHEMBL7018868 0.82 AGTR1 (0.42) AGTR1AGTR2LTB4R2
SCHEMBL7015549 0.81 AGTR1 (0.47) AGTR1AGTR2LTB4R2
SCHEMBL7018598 0.81 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7018028 0.81 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8916325 0.81 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7017110 0.81 AGTR1 (0.48) AGTR1AGTR2LTB4R2
SCHEMBL7102296 0.80 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7015176 0.78 AGTR1 (0.49) AGTR1AGTR2LTB4R2

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-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed