SCHEMBL8702000

SCHEMBL8702000

CCCCC1=NC(=O)CN1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.47
PPARG P37231 2/20 0.47
LTB4R2 Q9NPC1 4/20 0.45
AGTR2 P50052 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
EDNRA P25101 1/20 0.45
MAPK1 P28482 1/20 0.45
HTR2B P41595 1/20 0.45
PDE3A Q14432 1/20 0.45
SLC10A1 Q14973 1/20 0.45

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
SCHEMBL8700752 0.82 AGTR1 (0.49) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9846446 0.81 AGTR1 (0.40) AGTR1PPARGLTB4R2AGTR2ABCC3
SCHEMBL6502825 0.81 AGTR1 (0.48) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9248296 0.81 AGTR1 (0.48) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9671906 0.80 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL14215309 0.80 AGTR1 (0.47) AGTR1PPARGLTB4R2AGTR2ABCC3
SCHEMBL6953051 0.79 HSD11B1 (0.47) AGTR1AGTR2
SCHEMBL8704250 0.79 AGTR1 (0.46) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9541024 0.79 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL8702150 0.79 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCC3ABCC4

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-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed