SCHEMBL8793036

SCHEMBL8793036

Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4ccc5c(c4)N(CCN(C)C)CC5)cc3C)cc2)no1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.71
HTR1B P28222 10/20 0.71
HTR2A P28223 10/20 0.71
MEN1 O00255 5/20 0.56
MAPT P10636 5/20 0.56
KMT2A Q03164 5/20 0.56
TDP1 Q9NUW8 5/20 0.56
SLC6A4 P31645 5/20 0.56
MAPK1 P28482 4/20 0.56
TP53 P04637 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2D6 P10635 3/20 0.56
HTR2C P28335 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
THPO P40225 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56

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
SCHEMBL8570942 0.95 HTR1D (0.78) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8569674 0.83 HTR1D (1.00) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8562908 0.82 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8792134 0.80 HTR1D (0.59) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7795147 0.77 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8564809 0.76 HTR1D (0.75) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8563220 0.76 HTR1D (0.74) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7450572 0.75 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7935768 0.75 HTR1D (0.65) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8794661 0.74 HTR1D (0.58) HTR1DHTR1BHTR2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763034-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
WO-1995032967-A1 AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-12-07 WO disclosed