SCHEMBL8911545

SCHEMBL8911545

CC(C)=CCCC(C(=O)O)n1cnc2cc(-c3ccccc3-c3nn[nH]n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.41
AGTR2 P50052 5/20 0.41
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2B P18089 1/20 0.40
SLC6A2 P23975 1/20 0.40
TBXAS1 P24557 1/20 0.40
HTR2C P28335 1/20 0.40
PPARG P37231 1/20 0.40
HTR2B P41595 1/20 0.40
PDE3A Q14432 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL8912756 0.92 AGTR1 (0.40) AGTR1AGTR2CYP2C9
SCHEMBL7015176 0.87 AGTR1 (0.49) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7017110 0.86 AGTR1 (0.48) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7015549 0.85 AGTR1 (0.47) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7015525 0.83 AGTR1 (0.41) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7020747 0.76 AGTR1 (0.43) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7021774 0.76 AGTR1 (0.41) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7012452 0.75 PTPN1 (0.42) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL8913756 0.75 AGTR1 (0.46) AGTR1AGTR2ABCB11LTB4R2
SCHEMBL7020468 0.75 AGTR1 (0.40) AGTR1AGTR2ABCB11LTB4R2

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
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US 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