SCHEMBL7796403

SCHEMBL7796403

CCCCOc1ccc2c(c1)C(=O)c1cccc(OCCCN3CCCC3)c1-2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.53
KCNH2 Q12809 1/20 0.51
ADORA2A P29274 5/20 0.51
ADORA2B P29275 4/20 0.51
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 3/20 0.51
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
MET P08581 1/20 0.47

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
SCHEMBL7794709 0.99 HRH3 (0.55) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL27494797 0.97 HRH3 (0.53) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL7792408 0.97 HRH3 (0.52) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL7786144 0.96 LTA4H (0.51) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL27514549 0.95 HRH3 (0.50) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL7786054 0.95 HRH3 (0.53) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL7791989 0.94 ALDH1A1 (0.53) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL7792420 0.92 HRH3 (0.51) HRH3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL7794749 0.91 HRH3 (0.57) HRH3KCNH2ADORA2AADORA2BADORA1
SCHEMBL27514547 0.91 ALDH1A1 (0.53) HRH3KCNH2ADORA2AADORA2BADORA1

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