SCHEMBL9683640

SCHEMBL9683640

CCC(Br)Cc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.46
AGTR1 P30556 3/20 0.45
AGTR2 P50052 3/20 0.45
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL359 0.85 GP6 (0.63) GP6AGTR1AGTR2
SCHEMBL9684086 0.84 SLC6A4 (0.46) GP6AGTR1AGTR2SLC6A4SLC6A3
SCHEMBL418 0.83 SLC6A4 (0.46) GP6AGTR1AGTR2SLC6A4SLC6A3
SCHEMBL9683629 0.83 SLC6A4 (0.46) GP6AGTR1AGTR2SLC6A4SLC6A3
SCHEMBL549 0.82 AGTR1 (0.45) GP6AGTR1AGTR2SLC6A4SLC6A3
SCHEMBL417 0.79 SLC6A4 (0.46) GP6AGTR1AGTR2SLC6A4SLC6A3
SCHEMBL419 0.79 SLC6A4 (0.46) GP6AGTR1AGTR2SLC6A4SLC6A3
SCHEMBL8792485 0.77 AGTR1 (0.64) GP6AGTR1AGTR2
SCHEMBL9123848 0.77 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL3658233 0.76 GP6 (0.61) GP6AGTR1AGTR2

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-5128355-A Hypotensive E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US disclosed