SCHEMBL8545387

SCHEMBL8545387

Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(CCCN(C)C)c5c(c4)CCO5)cc3)c(C)c2)no1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.76
HTR1B P28222 9/20 0.76
HTR2A P28223 9/20 0.76
MEN1 O00255 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
MAPK1 P28482 2/20 0.57
HSD17B10 Q99714 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
ALOX15 P16050 1/20 0.57
SLC6A4 P31645 3/20 0.57
HTR2C P28335 2/20 0.57
CHRM2 P08172 1/20 0.57

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
Oxalic Acid SCHEMBL8543879 0.98 HTR1D (0.73) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL8545343 0.87 HTR1D (0.75) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6922555 0.86 HTR1D (1.00) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7403529 0.82 HTR1D (1.00) HTR1DHTR1BHTR2AMEN1MAPT
Oxalic Acid SCHEMBL6922334 0.80 HTR1D (0.95) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL9050506 0.80 HTR1D (0.73) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6487806 0.79 HTR1D (0.91) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL9054646 0.79 HTR1D (0.63) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL7446006 0.77 HTR1D (0.71) HTR1DHTR1BHTR2AMEN1MAPT
SCHEMBL6924931 0.76 HTR1D (0.92) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736025-B1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-22 EP claimed
EP-0736025-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT 1D? ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP claimed
WO-1995017401-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO claimed
EP-0736025-B1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-22 EP disclosed
US-5700818-A Dihydrobenzofuranyl-biphenyl carboxamides having 5HT1D antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-23 US disclosed
EP-0736025-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT 1D? ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP disclosed
WO-1995017401-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed