SCHEMBL8700752

SCHEMBL8700752

CCCCC1=NCC(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.49
LTB4R2 Q9NPC1 4/20 0.49
AGTR2 P50052 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
EDNRA P25101 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR2B P41595 1/20 0.48
PDE3A Q14432 1/20 0.48
SLC10A1 Q14973 1/20 0.48

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
SCHEMBL9671906 0.91 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL8705729 0.86 AGTR1 (0.38) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9671900 0.85 AGTR1 (0.54) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9673669 0.85 AGTR1 (0.56) AGTR1LTB4R2AGTR2ABCC3ABCC4
Hydrochloric Acid SCHEMBL9674145 0.84 AGTR1 (0.54) AGTR1LTB4R2AGTR2ABCC3ABCC4
Hydrochloric Acid SCHEMBL9671929 0.84 AGTR1 (0.56) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9672287 0.82 AGTR1 (0.72) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL9672035 0.82 AGTR1 (0.48) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL6502825 0.82 AGTR1 (0.48) AGTR1LTB4R2AGTR2ABCC3ABCC4
SCHEMBL8702000 0.82 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 4 patents. 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 claimed
EP-0475898-A1 Azacyclic compounds CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
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
EP-0475898-A1 Azacyclic compounds CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed