SCHEMBL8503794

SCHEMBL8503794

CCCCc1c(N2CC(N3Cc4ccccc4C3)C2)ccc2c1C(C(=O)NCCC)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.38
▸ DRD4 P21917 3/20 0.38
▸ DRD3 P35462 3/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL8668074 0.93 DRD2 (0.37) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL8485122 0.91 DRD2 (0.39) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL8480929 0.84 DRD2 (0.44) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL8502239 0.82 DRD2 (0.39) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL8480412 0.81 DRD2 (0.37) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL8675068 0.80 L3MBTL1 (0.42) DRD2DRD4DRD3KMT2AMAPT
SCHEMBL8502233 0.79 GAA (0.34) DRD2DRD4DRD3MAPTPOLB
SCHEMBL8669688 0.78 DRD2 (0.39) DRD2DRD4DRD3NAMPTKDM4E
SCHEMBL8503703 0.78 PSEN1 (0.36) POLB
SCHEMBL8714745 0.77 CHRM1 (0.41) DRD2DRD4DRD3KMT2APKM

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-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
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