SCHEMBL8745817

SCHEMBL8745817

COc1ccccc1N1CCN(CCc2c(C)c3c(O)cc(O)cc3oc2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.54
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
BRAF P15056 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1A P08908 2/20 0.47
GAA P10253 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL8745788 0.85 ABCC1 (0.56) CCR4BRAFADRA1DADRA1AADRA1B
SCHEMBL27928276 0.85 CCR4 (0.74) CCR4BRAF
SCHEMBL8745769 0.84 BRAF (0.55) ALDH1A1MAPTBRAFADRA1DADRA1A
SCHEMBL8745757 0.83 ABCC1 (0.54) CCR4KDM4EALDH1A1MAPTBRAF
SCHEMBL8745798 0.82 BRAF (0.56) BRAFADRA1DADRA1AADRA1BDRD2
SCHEMBL8745781 0.81 ADRA1A (0.51) ADRA1DADRA1AADRA1BDRD2HTR1A
SCHEMBL27948295 0.81 CCR4 (0.63) CCR4KDM4EALDH1A1MAPTGAA
SCHEMBL8745808 0.80 DRD2 (0.52) ADRA1ADRD2HTR1A
SCHEMBL8745763 0.80 ADRA1A (0.55) CCR4ADRA1DADRA1AADRA1BDRD2
SCHEMBL8745809 0.80 HTR2A (0.60) CCR4KDM4EALDH1A1BRAFADRA1A

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