SCHEMBL7794749

SCHEMBL7794749

O=C1c2ccc(OCCCN3CCCC3)cc2-c2c(OCCCN3CCCC3)cccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.57
ADORA2A P29274 5/20 0.55
ADORA2B P29275 4/20 0.55
ADORA1 P30542 4/20 0.55
ADORA3 P0DMS8 3/20 0.55
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
KCNA3 P22001 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL7792591 0.99 HRH3 (0.59) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7794714 0.97 HRH3 (0.53) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7786474 0.95 HRH3 (0.55) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7786407 0.94 HRH3 (0.56) HRH3ADORA2AADORA1
SCHEMBL11749139 0.93 HRH3 (0.58) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7786169 0.93 HRH3 (0.58) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7796403 0.91 HRH3 (0.53) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7794709 0.90 HRH3 (0.55) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7792408 0.90 HRH3 (0.52) HRH3ADORA2AADORA2BADORA1ADORA3
SCHEMBL7795792 0.90 USP2 (0.51) HRH3ADORA2AADORA2BADORA1ADORA3

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 4 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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed