SCHEMBL9301036

SCHEMBL9301036

Cc1cc(C(=O)Nc2ccc(F)c(N3CCN(C)CC3)c2)ccc1Br

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.82
HTR1B P28222 3/20 0.82
HTR2A P28223 3/20 0.82
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
WDR5 P61964 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
CHRM1 P11229 1/20 0.48
TMPRSS2 O15393 1/20 0.48
SLC6A4 P31645 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
NR4A1 P22736 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SETD2 Q9BYW2 1/20 0.46
HTR1F P30939 1/20 0.45

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
SCHEMBL9299637 0.87 HTR1D (0.62) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL9333009 0.86 HTR1D (0.60) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL7803371 0.85 HTR1D (1.00) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL8985970 0.81 HTR1D (0.92) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL9300303 0.80 HTR1D (0.58) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL9300324 0.79 HTR1D (0.57) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL9054239 0.79 HTR1D (0.68) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL9050530 0.79 HTR1D (0.68) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL9089296 0.79 HTR1D (0.71) HTR1DHTR1BHTR2ANPC1RAB9A
SCHEMBL24670735 0.78 MAOB (0.62) HTR1DHTR1BHTR2ANPC1RAB9A

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
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed