SCHEMBL9254595

SCHEMBL9254595

CCCc1nc2ncnn2c(N(CC)CC)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 2/20 0.39

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
SCHEMBL7310843 0.88 SLC33A1 (0.41) SLC33A1
SCHEMBL9254444 0.88 SLC33A1 (0.48) SLC33A1
SCHEMBL9258857 0.87 SLC33A1 (0.41) SLC33A1
SCHEMBL9250335 0.85 SLC33A1 (0.44) SLC33A1
SCHEMBL9309186 0.82 AGTR1 (0.49)
SCHEMBL9249571 0.81 PPARG (0.42) SLC33A1
SCHEMBL9253961 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL8314256 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL9257779 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL9256912 0.80 SLC33A1 (0.46) SLC33A1

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-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed