SCHEMBL7795750

SCHEMBL7795750

CCCCOc1ccc(OCCN2CCOCC2)c2c1-c1c(OCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
HTR2A P28223 1/20 0.50
SCN1A P35498 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN2A Q99250 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SCN3A Q9NY46 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
USP2 O75604 2/20 0.49
LMNA P02545 2/20 0.49
BRD4 O60885 1/20 0.47
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46

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
SCHEMBL7791839 0.96 MAPK1 (0.56) KDM4EMAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL7792459 0.94 KDM4E (0.51) KDM4EHTR2BUSP2BRD4CYP2D6
SCHEMBL7796344 0.94 MAPK1 (0.53) KDM4EMAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL7786152 0.92 KDM4E (0.51) KDM4EALDH1A1HTR2BUSP2BRD4
SCHEMBL7795928 0.91 TSHR (0.52) KDM4EMAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL7792380 0.90 CYP2D6 (0.53) KDM4EALDH1A1HTR2BBRD4CYP2D6
SCHEMBL7792725 0.90 KDM4E (0.45) KDM4EMAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL7796096 0.90 LTA4H (0.50) KDM4EALDH1A1CYP1A2CYP2D6TSHR
SCHEMBL7786100 0.90 MAPK1 (0.60) KDM4EMAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL7796300 0.89 CYP2D6 (0.52) KDM4EMAPK1ALDH1A1CYP1A2CHRM2

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