SCHEMBL8745769

SCHEMBL8745769

COc1cc2oc(=O)c(CCN3CCN(c4ccccc4OC)CC3)c(C)c2cc1O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.55
DRD2 P14416 3/20 0.50
ADRA1A P35348 2/20 0.50
DRD3 P35462 2/20 0.50
HTR2A P28223 1/20 0.50
GAA P10253 1/20 0.50
KCNH2 Q12809 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1B P35368 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL8745798 0.92 BRAF (0.56) BRAFDRD2ADRA1ADRD3HTR2A
SCHEMBL8745816 0.87 ADRA1A (0.55) BRAFDRD2ADRA1ADRD3HTR2A
SCHEMBL8745760 0.86 ADRA1A (0.55) BRAFDRD2ADRA1AHTR2AGAA
SCHEMBL8745809 0.86 HTR2A (0.60) BRAFDRD2ADRA1ADRD3HTR2A
SCHEMBL9144743 0.86 DRD2 (0.51) BRAFDRD2ADRA1ADRD3HTR2A
SCHEMBL8745813 0.85 BRAF (0.49) BRAFDRD2ADRA1ADRD3HTR2A
SCHEMBL8745817 0.84 CCR4 (0.54) BRAFDRD2ADRA1ADRD3GAA
SCHEMBL8745759 0.82 DRD2 (0.59) BRAFDRD2DRD3HTR2AKCNH2
SCHEMBL8745788 0.80 ABCC1 (0.56) BRAFDRD2ADRA1AHTR2AGAA
SCHEMBL8745797 0.79 ALDH1A1 (0.56) DRD2ADRA1ADRD3HTR2AGAA

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