SCHEMBL7796400

SCHEMBL7796400

CCCCOc1ccc2c(c1)C(=O)c1cccc(OCCCC3CCNC3)c1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
KCNA3 P22001 1/20 0.40
ELANE P08246 1/20 0.38
PTPN1 P18031 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPY1R P25929 1/20 0.37

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
SCHEMBL7792411 0.97 HTR2A (0.41) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7794705 0.94 NPY1R (0.41) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7791994 0.94 TTR (0.40) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7794745 0.92 KCNA3 (0.46) ITGB3ITGA2BKCNA3SLC6A2SLC6A4
SCHEMBL7792449 0.91 KCNA3 (0.41) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7792388 0.91 ACP1 (0.41) KMT2AMEN1ITGB3ITGA2BKCNA3
SCHEMBL7791763 0.91 ELANE (0.44) ITGB3ITGA2BKCNA3ELANEHTR2A
SCHEMBL7794712 0.89 KCNA3 (0.47) ITGB3ITGA2BKCNA3SLC6A2SLC6A4
SCHEMBL7786238 0.87 HTR2A (0.42) ITGB3ITGA2BKCNA3ELANEHTR2A
SCHEMBL7786391 0.87 HTR2A (0.42) ITGB3ITGA2BKCNA3ELANEHTR2A

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