SCHEMBL7786022

SCHEMBL7786022

CCCOc1ccc2c(c1)C(=O)c1cccc(OCCN3CCCCC3)c1-2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.53
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
ADORA2A P29274 3/20 0.48
ADORA1 P30542 2/20 0.48
ACHE P22303 1/20 0.48
MAOB P27338 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL7792420 0.99 HRH3 (0.51) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL27514549 0.96 HRH3 (0.50) HRH3ADORA2AADORA1ACHEMAOB
SCHEMBL7786054 0.96 HRH3 (0.53) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL7786144 0.95 LTA4H (0.51) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL27494797 0.94 HRH3 (0.53) HRH3ADORA2AADORA1KDM4E
SCHEMBL7792408 0.94 HRH3 (0.52) HRH3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL7795710 0.93 HRH3 (0.51) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL27513532 0.92 HRH3 (0.45) HRH3HTR3EHTR3BHTR3AHTR3D
SCHEMBL7794709 0.92 HRH3 (0.55) HRH3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL7796470 0.92 KDM4E (0.50) HRH3HTR3EHTR3BHTR3AHTR3D

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