SCHEMBL8745783

SCHEMBL8745783

CCOc1cc2c(C)c(CCN3CCC(c4ccccc4)CC3)c(=O)oc2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
EGFR P00533 1/20 0.41
DRD2 P14416 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40
HTR3A P46098 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL8808439 0.90 EGFR (0.50) APPMAOBMAOAEGFRDRD2
SCHEMBL8745782 0.86 DRD2 (0.54) APPDRD2ADRA2AADRA2CHTR2A
SCHEMBL8808991 0.84 EGFR (0.52) APPMAOBMAOAEGFRDRD2
SCHEMBL8745816 0.83 ADRA1A (0.55) GAADRD2HTR2A
SCHEMBL8745803 0.81 APP (0.45) APPMAOBMAOAPOLBGAA
SCHEMBL8745759 0.80 DRD2 (0.59) APPDRD2ADRA2AADRA2CHTR2A
SCHEMBL8745802 0.79 ABCC1 (0.51) APPMAOBMAOAPOLBGAA
SCHEMBL8745798 0.77 BRAF (0.56) GAADRD2HTR2A
SCHEMBL9144743 0.77 DRD2 (0.51) DRD2HTR2A
SCHEMBL8807154 0.76 ACHE (0.53) ACHE

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-0663911-B1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE SCHWABE WILLMAR GMBH & CO (DE) 1997-02-05 EP disclosed
US-5550129-A THERAPY FOR NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS WILLMAR SCHWABE GMBH & CO. (DE) 1996-08-27 US disclosed
EP-0663911-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE. SCHWABE WILLMAR GMBH & CO (DE) 1995-07-26 EP disclosed
WO-1994008985-A1 BENZOPYRANONES, METHOD OF PREPARING THEM AND THEIR USE DR. WILLMAR SCHWABE GMBH & CO. (DE) 1994-04-28 WO disclosed