SCHEMBL9314520

SCHEMBL9314520

CCCCc1nc(Cl)c(C(C)(C)O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.57
AGTR2 P50052 4/20 0.57
AGT P01019 2/20 0.54
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 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
SCHEMBL610 0.88 AGTR1 (0.62) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL498022 0.87 AGTR2 (0.63) AGTR1AGTR2AGT
SCHEMBL9313215 0.86 AGTR2 (0.56) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL1970340 0.85 AGTR1 (0.64) AGTR1AGTR2AGT
SCHEMBL894 0.85 GP6 (0.62) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL6711100 0.85 AGTR1 (0.59) AGTR1AGTR2AGTABCC4ABCB11
SCHEMBL7308711 0.85 AGTR1 (0.59) AGTR1AGTR2AGT
SCHEMBL13037616 0.84 AGTR1 (0.62) AGTR1AGTR2AGTABCC4ABCB11
Water SCHEMBL2576559 0.84 AGTR1 (0.63) AGTR1AGTR2AGT
SCHEMBL7299364 0.84 AGTR1 (0.53) AGTR1AGTR2AGTABCC4ABCB11

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-5298517-A An imidazole derivative AMERICAN CYANAMID COMPANY (US) 1994-03-29 US disclosed