SCHEMBL9048907

SCHEMBL9048907

Cc1cc(C(=O)Nc2cc3c(c(N4CCN(C)CC4)c2)OC(C)C3)ccc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.67
HTR1B P28222 5/20 0.67
HTR2A P28223 4/20 0.67
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NR4A1 P22736 1/20 0.41
TP53 P04637 3/20 0.40
SLC6A4 P31645 2/20 0.40
TMPRSS2 O15393 1/20 0.40
WDR5 P61964 1/20 0.40
MAPK1 P28482 2/20 0.40
HTR1A P08908 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
MEN1 O00255 1/20 0.40
HTR3B O95264 1/20 0.40

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
SCHEMBL9050530 0.83 HTR1D (0.68) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9051166 0.82 HTR1D (0.66) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9054239 0.82 HTR1D (0.68) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9301036 0.78 HTR1D (0.82) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9052520 0.77 HTR1D (0.73) HTR1DHTR1BHTR2ARAB9ASMN1; SMN2
SCHEMBL7803371 0.76 HTR1D (1.00) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9049449 0.74 HTR1D (0.55) HTR1DHTR1BHTR2ARAB9ANPC1
Hydrochloric Acid SCHEMBL9053404 0.74 HTR1D (0.54) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL8985970 0.72 HTR1D (0.92) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL7803726 0.69 HTR1D (0.79) HTR1DHTR1BHTR2ARAB9ANPC1

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-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP claimed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO claimed
EP-0724580-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-08-07 EP disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed