SCHEMBL7795892

SCHEMBL7795892

CCOc1cccc2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
NPY1R P25929 7/20 0.42
ACP1 P24666 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TTR P02766 1/20 0.40
KCNA3 P22001 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7792794 0.95 NPY1R (0.41) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792683 0.93 HTR2A (0.46) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7796210 0.93 HTR2A (0.44) HTR2AHTR2CHTR2BNPY1RSLC6A2
SCHEMBL7792139 0.92 ACP1 (0.41) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7786088 0.92 NPY1R (0.40) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792629 0.91 ACP1 (0.45) NPY1RACP1KCNA3CHRNB2CHRNB4
SCHEMBL7786542 0.89 KCNA3 (0.44) NPY1RACP1KCNA3CHRNB2CHRNB4
SCHEMBL7792438 0.88 ACP1 (0.38) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792350 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792560 0.88 NPY1R (0.43) HTR2AHTR2CHTR2BNPY1RACP1

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