SCHEMBL8745763

SCHEMBL8745763

CCOc1ccccc1N1CCN(CCc2c(C)c3c(OC)cc(OC)cc3oc2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 6/20 0.55
ADRA1D P25100 5/20 0.55
ADRA1B P35368 5/20 0.55
ABCC1 P33527 1/20 0.52
CCR4 P51679 1/20 0.51
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
TP53 P04637 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR1A P08908 1/20 0.46

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 0.94 ABCC1 (0.56) ADRA1AADRA1DADRA1BABCC1CCR4
SCHEMBL8745781 0.93 ADRA1A (0.51) ADRA1AADRA1DADRA1BABCC1DRD2
SCHEMBL8745799 0.89 ABCC1 (0.55) ADRA1AABCC1CCR4DRD2HTR2A
SCHEMBL8745761 0.88 ABCC1 (0.54) ABCC1CCR4HTR2ATP53HTR1A
SCHEMBL8745757 0.88 ABCC1 (0.54) ADRA1AABCC1CCR4DRD2HTR2A
SCHEMBL8745808 0.86 DRD2 (0.52) ADRA1ADRD2HTR2AKCNH2HTR1A
SCHEMBL8745755 0.86 ABCC1 (0.59) ABCC1CCR4DRD2HTR2ATP53
SCHEMBL8745816 0.82 ADRA1A (0.55) ADRA1AADRA1DADRA1BDRD2HTR2A
SCHEMBL8745809 0.81 HTR2A (0.60) ADRA1ACCR4DRD2HTR2AKCNH2
SCHEMBL8745817 0.80 CCR4 (0.54) ADRA1AADRA1DADRA1BCCR4DRD2

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