SCHEMBL7792589

SCHEMBL7792589

O=C1c2ccc(OCCCC3CCCNC3)cc2-c2c(OCCCC3CCCNC3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.44
NPY1R P25929 13/20 0.43
MAP2K1 Q02750 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACP1 P24666 4/20 0.38

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
SCHEMBL7794745 0.94 KCNA3 (0.46) KCNA3NPY1RITGB3ITGA2B
SCHEMBL7794705 0.92 NPY1R (0.41) KCNA3NPY1RACP1
SCHEMBL7794712 0.91 KCNA3 (0.47) KCNA3NPY1RITGB3ITGA2B
SCHEMBL7795714 0.87 NPY1R (0.42) KCNA3NPY1RACP1
SCHEMBL7796400 0.86 MAPT (0.42) KCNA3NPY1RITGB3ITGA2B
SCHEMBL7794760 0.86 ACP1 (0.42) KCNA3NPY1RACP1
SCHEMBL7786542 0.86 KCNA3 (0.44) KCNA3NPY1RACP1
SCHEMBL7786481 0.85 HTR2A (0.41) KCNA3NPY1RACP1
SCHEMBL7786088 0.85 NPY1R (0.40) KCNA3NPY1RACP1
SCHEMBL7794815 0.85 HTR2A (0.41) KCNA3NPY1RACP1

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