SCHEMBL9684439

SCHEMBL9684439

CCCCc1nc(Cl)c(CO)n1Cc1ccc(C2(c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.48
AGTR2 P50052 3/20 0.48
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL610 0.80 AGTR1 (0.62) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9684692 0.77 AGTR1 (0.48) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL2924610 0.77 AGTR2 (0.55) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9684433 0.75 AGTR1 (0.45) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL11100306 0.73 AGTR1 (0.72) AGTR1AGTR2
SCHEMBL6024537 0.73 AGTR1 (0.59) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9683853 0.73 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL741 0.71 AGTR2 (0.64) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL3407499 0.71 AGTR1 (0.61) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL8976534 0.71 AGTR1 (0.50) 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
EP-0485929-A1 Substituted azoles, process for their preparation and their application HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-20 EP disclosed