SCHEMBL8570855

SCHEMBL8570855

Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)C(CCN(C)C)CCO5)cc3)c(C)c2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.67
HTR2A P28223 10/20 0.67
HTR1B P28222 9/20 0.67
MEN1 O00255 4/20 0.59
MAPT P10636 4/20 0.59
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
HPGD P15428 3/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
MAPK1 P28482 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
ALOX15 P16050 1/20 0.59
SLC6A4 P31645 3/20 0.58
HTR2C P28335 2/20 0.58
CHRM2 P08172 1/20 0.58

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
SCHEMBL8569674 0.80 HTR1D (1.00) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL8562908 0.79 HTR1D (0.91) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL6925180 0.78 HTR1D (0.62) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL6921997 0.78 HTR1D (0.62) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL8563220 0.78 HTR1D (0.74) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL8564809 0.77 HTR1D (0.75) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL8687667 0.76 HTR1D (0.77) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL7935768 0.76 HTR1D (0.65) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL7446006 0.75 HTR1D (0.71) HTR1DHTR2AHTR1BMEN1MAPT
SCHEMBL8398370 0.75 HTR1D (0.78) HTR1DHTR2AHTR1BMEN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756496-A Amide derivatives having 5HT1D-antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 1998-05-26 US claimed
EP-0763034-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP claimed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO claimed
US-5756496-A Amide derivatives having 5HT1D-antagonist activity SMITHKLINE BEECHAM P.L.C. (GB) 1998-05-26 US disclosed
EP-0751132-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-01-02 EP disclosed