SCHEMBL9054239

SCHEMBL9054239

Cc1cc(C(=O)Nc2cc3c(c(N4CCN(C)CC4)c2)OCCO3)ccc1Br

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.68
HTR1B P28222 3/20 0.68
HTR2A P28223 3/20 0.68
RAB9A P51151 9/20 0.54
NPC1 O15118 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TP53 P04637 3/20 0.45
MAPT P10636 4/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 3/20 0.43
MAOB P27338 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43

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 0.88 HTR1D (0.68) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9059222 0.83 HTR1D (0.50) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9048907 0.82 HTR1D (0.67) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9051166 0.81 HTR1D (0.66) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9053172 0.80 NPC1 (0.48) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9055858 0.79 NPC1 (0.47) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9049449 0.79 HTR1D (0.55) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL9301036 0.79 HTR1D (0.82) HTR1DHTR1BHTR2ARAB9ANPC1
Hydrochloric Acid SCHEMBL9053404 0.78 HTR1D (0.54) HTR1DHTR1BHTR2ARAB9ANPC1
SCHEMBL7803371 0.77 HTR1D (1.00) 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 2 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 disclosed
WO-1995011243-A1 BENZANILIDE DERIVATIVES AS 5HT-1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-04-27 WO disclosed