SCHEMBL8545364

SCHEMBL8545364

O=C1c2ccccc2C(=O)N1CCCc1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
GLS O94925 1/20 0.39

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
SCHEMBL8544110 0.96 TDP1 (0.49) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL6956027 0.93 HSD17B10 (0.48) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL1435788 0.79 MAPT (0.49) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL6571079 0.76
SCHEMBL4968480 0.76 CTSK (0.36) MAPT
SCHEMBL8492320 0.76
SCHEMBL8548025 0.75 HRH1 (0.41) MAPT
SCHEMBL8120792 0.74 FNTA (0.59) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL8584247 0.74 KCNH3 (0.35)
SCHEMBL7846190 0.73 KEAP1 (0.41) L3MBTL1LMNASMN1; SMN2CYP1A2CYP2C19

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-0882023-A1 HISTAMINE H 3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-09 EP disclosed
WO-1997029092-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1997-08-14 WO disclosed