SCHEMBL7792473

SCHEMBL7792473

O=C1c2ccc(OCCCCN3CCOCC3)cc2-c2c(OCCCCN3CCOCC3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SIGMAR1 Q99720 2/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
ACHE P22303 1/20 0.49
KCNA3 P22001 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
SCHEMBL7795792 0.97 USP2 (0.51) ALDH1A1KDM4EHTTSIGMAR1ADORA3
SCHEMBL7786488 0.94 ADORA2A (0.56) ALDH1A1KDM4ETSHRADORA3ADORA2A
SCHEMBL7794714 0.90 HRH3 (0.53) ALDH1A1KDM4ETSHRADORA3ADORA2A
SCHEMBL7786474 0.89 HRH3 (0.55) ALDH1A1TSHRADORA3ADORA2AADORA2B
SCHEMBL7791807 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL7794749 0.87 HRH3 (0.57) ADORA3ADORA2AADORA2BADORA1KCNA3
SCHEMBL7786125 0.87 MAPK1 (0.51) ALDH1A1KDM4EHTTSIGMAR1ADORA3
SCHEMBL7792591 0.86 HRH3 (0.59) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL7792581 0.85 USP2 (0.54) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL7796341 0.85 MAPK14 (0.50) ALDH1A1KDM4EHTTSIGMAR1ADORA3

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