SCHEMBL9709499

SCHEMBL9709499

O=C(CCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
PRCP P42785 2/20 0.35
BRS3 P32247 8/20 0.35
FFAR1 O14842 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
LTB4R2 Q9NPC1 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
SCHEMBL9709582 0.83 IAPP (0.39) FFAR1AGTR1LTB4R2
SCHEMBL9709552 0.80 IAPP (0.40) BRS3FFAR1AGTR1AGTR2LTB4R2
SCHEMBL6956494 0.80 TDP1 (0.40) BRS3
SCHEMBL9709753 0.78 LTB4R2 (0.42) BRS3AGTR1AGTR2LTB4R2
SCHEMBL6949584 0.77 LTA4H (0.37) HSD11B1BRS3AGTR1AGTR2
SCHEMBL9709732 0.77 LTB4R2 (0.41) BRS3AGTR1AGTR2LTB4R2
SCHEMBL1773521 0.77 FYN (0.39) AGTR1AGTR2
SCHEMBL8698309 0.76 MLYCD (0.47) AGTR1LTB4R2
SCHEMBL6960893 0.76 CA2 (0.35) HSD11B1BRS3AGTR1AGTR2
SCHEMBL6961100 0.76 NPC1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157040-A Treatment of hypertension, ocular hypertension and some CNS disorders MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed