SCHEMBL7786221

SCHEMBL7786221

O=C1c2cccc(OCCC3CCCN3)c2-c2cccc(OCCC3CCCN3)c21

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL7795759 0.96 KCNA3 (0.43) KCNA3CHRNB4CHRNA3PIM1PIM2
SCHEMBL7792615 0.94 KCNA3 (0.46) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7792203 0.89 CHRNB4 (0.43) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7792624 0.88 CHRNB4 (0.41) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7795907 0.88 CHRNB4 (0.42) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7792222 0.88 CHRNB4 (0.51) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7786162 0.87 CHRNB4 (0.48) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7786143 0.87 CHRNB4 (0.40) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7795723 0.87 ELANE (0.44) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL7796092 0.86 CHRNB4 (0.39) KCNA3CHRNB4CHRNA3CHRNB2CHRNA4

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