SCHEMBL7795913

SCHEMBL7795913

CCOc1cc(OC)c2c(c1N)C(=O)c1cccc(OCCN3CCCC3)c1-2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HTR2C P28335 11/20 0.46
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2B P41595 4/20 0.43
HTR2A P28223 3/20 0.43
MCHR1 Q99705 2/20 0.42

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
SCHEMBL7796495 0.97 POLB (0.48) POLBHTR2CALDH1A1L3MBTL1HTR2B
SCHEMBL7795879 0.96 ALDH1A1 (0.47) POLBHTR2CALDH1A1L3MBTL1
SCHEMBL7795771 0.96 POLB (0.51) POLBHTR2CALDH1A1HTR2BHTR2A
SCHEMBL7792444 0.96 ALDH1A1 (0.47) POLBHTR2CALDH1A1L3MBTL1
SCHEMBL7796350 0.95 HTR2C (0.51) POLBHTR2CHTR2BHTR2A
SCHEMBL7796117 0.95 ALDH1A1 (0.46) POLBHTR2CALDH1A1L3MBTL1HTR2B
SCHEMBL7795926 0.94 POLB (0.47) POLBHTR2CHTR2BHTR2AMCHR1
SCHEMBL7792689 0.94 POLB (0.51) POLBHTR2CALDH1A1HTR2BHTR2A
Hydrochloric Acid SCHEMBL7792164 0.93 POLB (0.46) POLBHTR2CHTR2BHTR2AMCHR1
SCHEMBL7796421 0.93 ALDH1A1 (0.45) POLBHTR2CALDH1A1L3MBTL1

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