SCHEMBL9258772

SCHEMBL9258772

CCCc1c(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(NCCN2CCOCC2)nc2ncnn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 18/20 0.44
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL9258787 0.86 SLC33A1 (0.44) SLC33A1
SCHEMBL9254999 0.84 CYP1A2 (0.53) SLC33A1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL9258759 0.82 SLC33A1 (0.44) SLC33A1
SCHEMBL9254444 0.81 SLC33A1 (0.48) SLC33A1
SCHEMBL9256912 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL9253961 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL8314256 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL9257779 0.80 SLC33A1 (0.46) SLC33A1
SCHEMBL9252542 0.80 SLC33A1 (0.43) SLC33A1
SCHEMBL9251377 0.80 SLC33A1 (0.43) 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