SCHEMBL8900515

SCHEMBL8900515

CCCCC1(C)NC(Cl)=C(O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.36
LTB4R2 Q9NPC1 4/20 0.36
AGTR2 P50052 4/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35

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
SCHEMBL9007516 0.83 AGTR1 (0.37) AGTR1LTB4R2AGTR2
SCHEMBL6111797 0.78 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL6112511 0.77 AGTR1 (0.33) AGTR1LTB4R2AGTR2
SCHEMBL2052910 0.75 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9248296 0.74 AGTR1 (0.48) AGTR1LTB4R2AGTR2ABCC4ABCB11
SCHEMBL6953051 0.73 HSD11B1 (0.47) AGTR1AGTR2
SCHEMBL9541024 0.72 AGTR1 (0.47) AGTR1LTB4R2AGTR2ABCC4ABCB11
SCHEMBL8799310 0.72 AGTR1 (0.47) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL30929294 0.71 AGTR1 (0.43) AGTR1LTB4R2AGTR2ABCC4ABCB11
SCHEMBL6957300 0.71 HSD11B1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612365-A CARDIOVASCULAR DISORDERS AND COGNITIVE ACTIVATORS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-18 US disclosed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP disclosed