SCHEMBL8931908

SCHEMBL8931908

CCC(C(=O)O)(c1ccccc1-c1nn[nH]n1)n1cnc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 4/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRB3 P13945 1/20 0.39
ADRA2B P18089 1/20 0.39
SLC6A2 P23975 1/20 0.39
TBXAS1 P24557 1/20 0.39
HTR2C P28335 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8931904 0.91 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8931850 0.90 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8931810 0.89 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8931961 0.87 AGTR1 (0.39) AGTR1AGTR2LTB4R2ALDH1A1
SCHEMBL8931852 0.77 LTB4R2 (0.39) AGTR1AGTR2LTB4R2
SCHEMBL8931987 0.73 LTB4R2 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8931954 0.73 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8931792 0.72 AGTR1 (0.41) AGTR1AGTR2LTB4R2
SCHEMBL8931833 0.72 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8931818 0.72 AGTR1 (0.41) 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