SCHEMBL8931950

SCHEMBL8931950

CCCCCCC(C(=O)O)n1c(C)nc2c(-c3ccccc3-c3nn[nH]n3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.42
CMKLR1 Q99788 1/20 0.41
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
AGTR2 P50052 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
SCHEMBL8931837 0.88 AGTR1 (0.40) AGTR1CMKLR1ABCB11GP6LTB4R2
SCHEMBL8931811 0.88 AGTR1 (0.41) AGTR1CMKLR1ABCB11GP6LTB4R2
SCHEMBL7017797 0.84 AGTR1 (0.46) AGTR1ABCB11GP6LTB4R2
SCHEMBL8931809 0.84 AGTR1 (0.48) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL8931848 0.83 AGTR1 (0.49) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL8931898 0.80 AGTR1 (0.49) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL7018094 0.75 AGTR1 (0.46) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL8931826 0.75
SCHEMBL7020436 0.75 AGTR1 (0.47) AGTR1ABCB11GP6LTB4R2AGTR2
SCHEMBL8932035 0.75 AGTR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed