SCHEMBL8745781

SCHEMBL8745781

CCOc1cc(OCC)c2c(C)c(CCN3CCN(c4ccccc4OC)CC3)c(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.51
ADRA1D P25100 4/20 0.51
ADRA1B P35368 4/20 0.51
DRD2 P14416 2/20 0.49
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPK1 P28482 1/20 0.47
HTR1A P08908 1/20 0.46
ABCC1 P33527 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
SCHEMBL8745763 0.93 ADRA1A (0.55) ADRA1AADRA1DADRA1BDRD2HTR2A
SCHEMBL8745808 0.92 DRD2 (0.52) ADRA1ADRD2HTR2AKCNH2HTR1A
SCHEMBL8745788 0.90 ABCC1 (0.56) ADRA1AADRA1DADRA1BDRD2HTR2A
SCHEMBL8745816 0.84 ADRA1A (0.55) ADRA1AADRA1DADRA1BDRD2HTR2A
SCHEMBL8745799 0.84 ABCC1 (0.55) ADRA1ADRD2HTR2AKCNH2MAPK1
SCHEMBL8745761 0.82 ABCC1 (0.54) HTR2AMAPK1HTR1AABCC1
SCHEMBL8745757 0.82 ABCC1 (0.54) ADRA1ADRD2HTR2AKCNH2HTR1A
SCHEMBL8745817 0.81 CCR4 (0.54) ADRA1AADRA1DADRA1BDRD2HTR1A
SCHEMBL8745809 0.81 HTR2A (0.60) ADRA1ADRD2HTR2AKCNH2HTR1A
SCHEMBL8745755 0.80 ABCC1 (0.59) DRD2HTR2AKCNH2MAPK1HTR1A

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