SCHEMBL8931994

SCHEMBL8931994

O=C(O)CCCCCCCN1Cc2cc(-c3ccccc3-c3nn[nH]n3)ccc2N1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.49
AGTR2 P50052 6/20 0.49
GSTM2 P28161 1/20 0.44
LTB4R2 Q9NPC1 2/20 0.41
ABCB11 O95342 1/20 0.40
GP6 Q9HCN6 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
SCHEMBL8931998 0.76 AGTR1 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL7020562 0.75 AGTR1 (0.47) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL8931793 0.72 AGTR1 (0.50) AGTR1AGTR2GSTM2LTB4R2
SCHEMBL8932032 0.72 AGTR1 (0.52) AGTR1AGTR2GSTM2
SCHEMBL8931808 0.71 AGTR1 (0.49) AGTR1AGTR2GSTM2
SCHEMBL8931888 0.71 AGTR1 (0.47) AGTR1AGTR2GSTM2
SCHEMBL8931827 0.71 AGTR1 (0.51) AGTR1AGTR2GSTM2
SCHEMBL8931917 0.71 AGTR1 (0.44) AGTR1AGTR2LTB4R2
SCHEMBL8931841 0.69 AGTR1 (0.50) AGTR1AGTR2GSTM2
SCHEMBL8931891 0.69 AGTR1 (0.50) AGTR1AGTR2GSTM2

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