SCHEMBL7786255

SCHEMBL7786255

COc1cc(OCCCC2CCNC2)cc2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ACP1 P24666 3/20 0.36
NPY1R P25929 4/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL7796614 0.96 ALDH1A1 (0.42) KCNA3ALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL7794760 0.94 ACP1 (0.42) KCNA3ACP1NPY1R
SCHEMBL7792449 0.91 KCNA3 (0.41) KCNA3ALDH1A1MEN1KMT2AITGB3
SCHEMBL7794782 0.91 KCNA3 (0.41) KCNA3ITGB3ITGA2BNPY1RHTR2A
SCHEMBL7786391 0.91 HTR2A (0.42) KCNA3ITGB3ITGA2BNPY1RHTR2A
SCHEMBL7786238 0.91 HTR2A (0.42) KCNA3ITGB3ITGA2BNPY1RHTR2A
SCHEMBL7786097 0.90 EED (0.44) KCNA3ALDH1A1CYP1A2CYP3A4ACP1
SCHEMBL7792388 0.89 ACP1 (0.41) KCNA3MEN1KMT2AITGB3ITGA2B
SCHEMBL7786173 0.89 HTR2A (0.39) KCNA3ITGB3ITGA2BACP1NPY1R
SCHEMBL7796400 0.86 MAPT (0.42) KCNA3ALDH1A1MEN1KMT2AITGB3

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