SCHEMBL8745809

SCHEMBL8745809

COc1ccc2c(C)c(CCN3CCN(c4ccccc4OC)CC3)c(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.60
DRD2 P14416 2/20 0.60
ADRA1A P35348 1/20 0.60
KCNH2 Q12809 1/20 0.59
HTR1A P08908 4/20 0.58
HTR7 P34969 3/20 0.58
HTR6 P50406 3/20 0.58
CCR4 P51679 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
BRAF P15056 1/20 0.51
DRD3 P35462 1/20 0.51

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 0.89 BRAF (0.56) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL8745788 0.87 ABCC1 (0.56) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL8745769 0.86 BRAF (0.55) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL8745816 0.84 ADRA1A (0.55) HTR2ADRD2ADRA1AKCNH2BRAF
SCHEMBL8745760 0.84 ADRA1A (0.55) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL9144743 0.83 DRD2 (0.51) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL11630012 0.83 HTR2A (0.62) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL8745813 0.82 BRAF (0.49) HTR2ADRD2ADRA1AKCNH2HTR1A
SCHEMBL8745797 0.82 ALDH1A1 (0.56) HTR2ADRD2ADRA1AHTR1AHTR7
SCHEMBL8745781 0.81 ADRA1A (0.51) HTR2ADRD2ADRA1AKCNH2HTR1A

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