SCHEMBL7792062

SCHEMBL7792062

COc1cc(OC(C)C2CCCCN2)cc2c1-c1c(OC(C)C3CCCCN3)cccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL7794694 0.97 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7795698 0.96 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7795757 0.93 ALDH1A1 (0.44) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7792329 0.91 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7794957 0.90 MEN1 (0.46) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7786280 0.90 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7795927 0.89 TTR (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7792041 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7786314 0.88 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7786163 0.88 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed