SCHEMBL14640320

SCHEMBL14640320

C=C(Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.81
FNTB P49356 11/20 0.81
HRH1 P35367 6/20 0.74
SLC6A15 Q9H2J7 9/20 0.70
PTAFR P25105 3/20 0.66
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
CACNA1F O60840 1/20 0.64
NR1I2 O75469 1/20 0.64
GMNN O75496 1/20 0.64
USP2 O75604 1/20 0.64
ABCB11 O95342 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
CHRM2 P08172 1/20 0.64
ABCB1 P08183 1/20 0.64
CYP3A4 P08684 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2D6 P10635 1/20 0.64

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
SCHEMBL29663139 0.90 FNTA (1.00) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL2732013 0.90 FNTA (1.00) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL9136454 0.85 HRH1 (1.00) FNTAFNTBHRH1PTAFRKCNH2
SCHEMBL8879451 0.83 FNTA (0.85) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL13358853 0.82 HRH1 (0.72) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL3367280 0.81 SLC6A15 (0.82) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL6179026 0.80 FNTA (1.00) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL6176353 0.80 FNTA (0.80) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL8958672 0.80 PTAFR (0.75) FNTAFNTBHRH1SLC6A15PTAFR
SCHEMBL8880224 0.80 SLC6A15 (1.00) FNTAFNTBHRH1SLC6A15PTAFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070009530-A1 Methods and compositions for inhibiting tumorigenesis NEW YORK UNIVERSITY 2007-01-11 US disclosed