SCHEMBL7794714

SCHEMBL7794714

O=C1c2ccc(OCCCCN3CCCC3)cc2-c2c(OCCCCN3CCCC3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.53
KCNA3 P22001 1/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA1 P30542 2/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TRPM2 O94759 1/20 0.50
PARP1 P09874 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL7786474 0.99 HRH3 (0.55) HRH3KCNA3ADORA3ADORA2AADORA2B
SCHEMBL7794749 0.97 HRH3 (0.57) HRH3KCNA3ADORA3ADORA2AADORA2B
SCHEMBL7792591 0.95 HRH3 (0.59) HRH3ADORA3ADORA2AADORA2BADORA1
SCHEMBL7786407 0.93 HRH3 (0.56) HRH3ADORA2AADORA1
SCHEMBL7786169 0.92 HRH3 (0.58) HRH3ADORA3ADORA2AADORA2BADORA1
SCHEMBL7792473 0.90 ALDH1A1 (0.54) KCNA3ADORA3ADORA2AADORA2BADORA1
SCHEMBL11749139 0.90 HRH3 (0.58) HRH3KCNA3ADORA3ADORA2AADORA2B
SCHEMBL7796403 0.88 HRH3 (0.53) HRH3ADORA3ADORA2AADORA2BADORA1
SCHEMBL7792408 0.87 HRH3 (0.52) HRH3ADORA3ADORA2AADORA2BADORA1
SCHEMBL7794709 0.87 HRH3 (0.55) HRH3ADORA3ADORA2AADORA2BADORA1

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