SCHEMBL8745799

SCHEMBL8745799

COc1cc(OC)c2c(C)c(CCN3CCN(c4ccccc4C)CC3)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.55
CCR4 P51679 1/20 0.54
TP53 P04637 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45

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) ABCC1CCR4TP53DRD2HTR2A
SCHEMBL8745761 0.91 ABCC1 (0.54) ABCC1CCR4TP53ABCB1ABCG2
SCHEMBL8745757 0.91 ABCC1 (0.54) ABCC1CCR4TP53ABCB1ABCG2
SCHEMBL8745763 0.89 ADRA1A (0.55) ABCC1CCR4TP53DRD2HTR2A
SCHEMBL8745755 0.89 ABCC1 (0.59) ABCC1CCR4TP53ABCB1ABCG2
SCHEMBL8745781 0.84 ADRA1A (0.51) ABCC1MAPK1DRD2HTR2AADRA1A
SCHEMBL8745808 0.83 DRD2 (0.52) DRD2HTR2AADRA1AKCNH2HTR1A
SCHEMBL8745802 0.81 ABCC1 (0.51) ABCC1CCR4TP53ABCB1ABCG2
SCHEMBL8745772 0.81 CCR4 (0.51) ABCC1CCR4ABCB1HTR2AKDM4E
SCHEMBL8745809 0.80 HTR2A (0.60) CCR4ALDH1A1HPGDDRD2HTR2A

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