SCHEMBL3840808

SCHEMBL3840808

CCCc1nc(C(C)(C)O)c(OC(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.57
AGTR2 P50052 5/20 0.57
ABCC3 O15438 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
CYP3A4 P08684 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47

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
SCHEMBL7443225 0.95 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL6545442 0.92 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL6545554 0.91 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL7878597 0.90 AGTR1 (0.46) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL12230484 0.89 AGTR2 (0.53) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL6546048 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6545316 0.88 AGTR1 (0.49) AGTR1AGTR2
Olmesartan SCHEMBL94037 0.87 AGTR1 (0.73) AGTR1AGTR2ABCC3ABCC4ABCB11
Olmesartan SCHEMBL29368106 0.87 AGTR1 (0.73) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8736122 0.87 AGTR1 (0.47) 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
EP-1884240-B1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE DAIICHI SANKYO CO LTD (JP) 2009-11-11 EP claimed
EP-0503785-B1 1-Biphenylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP claimed