SCHEMBL7786407

SCHEMBL7786407

O=C1c2ccc(OCCN3CCCC3)cc2-c2c(OCCN3CCCC3)cccc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.56
ADORA2A P29274 4/20 0.54
ADORA1 P30542 3/20 0.54
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
KMT2A Q03164 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
SCHEMBL7786169 0.99 HRH3 (0.58) HRH3ADORA2AADORA1HTR3EHTR3B
SCHEMBL7794749 0.94 HRH3 (0.57) HRH3ADORA2AADORA1
SCHEMBL7792591 0.93 HRH3 (0.59) HRH3ADORA2AADORA1
SCHEMBL7794714 0.93 HRH3 (0.53) HRH3ADORA2AADORA1
SCHEMBL7786474 0.92 HRH3 (0.55) HRH3ADORA2AADORA1
SCHEMBL7786144 0.90 LTA4H (0.51) HRH3ADORA2AADORA1HTR3EHTR3B
SCHEMBL7792420 0.90 HRH3 (0.51) HRH3ADORA2AADORA1HTR3EHTR3B
SCHEMBL7786488 0.90 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL7786054 0.89 HRH3 (0.53) HRH3ADORA2AADORA1HTR3EHTR3B
SCHEMBL7786022 0.89 HRH3 (0.53) HRH3ADORA2AADORA1HTR3EHTR3B

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