SCHEMBL7794777

SCHEMBL7794777

CCCCOc1cc(OCCCN2CCCCC2)c(N)c2c1-c1c(OCCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.46
ADORA2A P29274 6/20 0.46
ADORA2B P29275 5/20 0.46
ADORA1 P30542 5/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA3 P0DMS8 3/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.44
TRPM2 O94759 1/20 0.44
PARP1 P09874 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7792690 0.99 HRH3 (0.45) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7792004 0.96 ALDH1A1 (0.45) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7795918 0.96 LTA4H (0.44) HRH3ADORA2AADORA2BADORA1KDM4E
SCHEMBL7792361 0.95 CYP2D6 (0.44) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7796456 0.95 LTA4H (0.44) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7792435 0.94 ALDH1A1 (0.51) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7794786 0.93 ALDH1A1 (0.52) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7795701 0.92 HRH3 (0.49) HRH3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL7796218 0.91 HTR2C (0.44) ADORA2AADORA1ALDH1A1KDM4EMEN1
SCHEMBL7792069 0.91 ALDH1A1 (0.48) HRH3ALDH1A1KDM4EMEN1PKM

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