SCHEMBL7795798

SCHEMBL7795798

O=C1c2cccc(OCCN3CCOCC3)c2-c2cccc(OCCN3CCOCC3)c21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.52
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
BRD4 O60885 1/20 0.50
USP2 O75604 1/20 0.50
MAOB P27338 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 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
SCHEMBL7794764 0.94 USP2 (0.58) KDM4EPOLBUSP2L3MBTL1SMN1; SMN2
SCHEMBL7792581 0.92 USP2 (0.54) KDM4EPOLBUSP2L3MBTL1SMN1; SMN2
SCHEMBL7786224 0.88 KDM4E (0.53) KDM4EPOLBDRD1DRD4DRD5
SCHEMBL9540788 0.87 KDM4E (0.55) KDM4EPOLBDRD1DRD4DRD5
SCHEMBL7796098 0.86 L3MBTL1 (0.46) KDM4EPOLBUSP2MAOBL3MBTL1
SCHEMBL7795762 0.86 KDM4E (0.55) KDM4EPOLBDRD1DRD4DRD5
SCHEMBL7786453 0.86 CYP2D6 (0.56) KDM4EPOLBDRD1DRD4DRD5
SCHEMBL7796201 0.86 KDM4E (0.54) KDM4EPOLBDRD1DRD4DRD5
SCHEMBL7792459 0.86 KDM4E (0.51) KDM4EPOLBDRD1DRD4DRD5
SCHEMBL7792380 0.86 CYP2D6 (0.53) KDM4EPOLBDRD1DRD4DRD5

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