SCHEMBL8932004

SCHEMBL8932004

CCCCCCC(C(=O)O)n1cnc2cc(-c3ccccc3-c3nn[nH]n3)cc(C(F)(F)F)c21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.42
AGTR2 P50052 2/20 0.42
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
IDO1 P14902 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
SCHEMBL7015549 0.84 AGTR1 (0.47) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL8912786 0.84 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7017110 0.83 AGTR1 (0.48) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL7013119 0.81 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL7015176 0.81 AGTR1 (0.49) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL7015525 0.79 AGTR1 (0.41) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL7018139 0.77 AGTR1 (0.44) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL7020747 0.76 AGTR1 (0.43) AGTR1AGTR2ABCB11GP6LTB4R2
SCHEMBL9278666 0.75 CYP19A1 (0.42) AGTR1
SCHEMBL7021774 0.75 AGTR1 (0.41) AGTR1AGTR2ABCB11GP6LTB4R2

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