SCHEMBL7792683

SCHEMBL7792683

CCCOc1cccc2c1-c1c(OCCCC3CCCNC3)cccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
NPY1R P25929 10/20 0.42
ACP1 P24666 2/20 0.40
IKBKB O14920 1/20 0.40
KCNA3 P22001 1/20 0.40
TLR7 Q9NYK1 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
KMT2A Q03164 1/20 0.39
HTR6 P50406 1/20 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
SCHEMBL7792350 0.95 HTR2A (0.44) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7795892 0.93 HTR2A (0.43) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792363 0.93 HTR2A (0.47) HTR2AHTR2CHTR2BNPY1RIKBKB
SCHEMBL7794815 0.92 HTR2A (0.41) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7786481 0.92 HTR2A (0.41) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792629 0.91 ACP1 (0.45) NPY1RACP1KCNA3CHRNB2CHRNB4
SCHEMBL7792560 0.90 NPY1R (0.43) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7786542 0.89 KCNA3 (0.44) NPY1RACP1KCNA3CHRNB2CHRNB4
SCHEMBL7791763 0.89 ELANE (0.44) HTR2AHTR2CHTR2BNPY1RACP1
SCHEMBL7792007 0.88 IKBKB (0.40) 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