SCHEMBL8795128

SCHEMBL8795128

COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 13/20 0.68
HTR1B P28222 10/20 0.68
HTR2A P28223 9/20 0.68
MEN1 O00255 3/20 0.68
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.68
TDP1 Q9NUW8 3/20 0.68
MAPK1 P28482 3/20 0.68
TP53 P04637 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
HSD17B10 Q99714 2/20 0.68
HPGD P15428 2/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
CYP1A2 P05177 1/20 0.68
ALOX15 P16050 1/20 0.68
SLC6A4 P31645 3/20 0.67
HTR2C P28335 2/20 0.67
CHRM2 P08172 1/20 0.67

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
SCHEMBL8795101 1.00 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
Hydrochloric Acid SCHEMBL6926169 0.99 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
Hydrochloric Acid SCHEMBL6926159 0.99 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
Hydrochloric Acid SCHEMBL6922187 0.94 HTR1D (0.71) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7407460 0.93 HTR1D (0.70) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6927404 0.85 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6927402 0.85 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6928603 0.85 HTR1D (0.68) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6927766 0.85 HTR1D (0.69) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7921800 0.85 HTR1D (0.60) 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-0758330-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP claimed
WO-1995030675-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-11-16 WO claimed