SCHEMBL8544110

SCHEMBL8544110

O=C1c2ccccc2C(=O)N1CCCCc1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
HTR1A P08908 3/20 0.41
GPR84 Q9NQS5 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL8545364 0.96 MAPT (0.46) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL6956027 0.91 HSD17B10 (0.48) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL8548025 0.77 HRH1 (0.41) MAPT
SCHEMBL8584247 0.76 KCNH3 (0.35)
SCHEMBL6571079 0.75
SCHEMBL4968480 0.75 CTSK (0.36) MAPT
SCHEMBL1435788 0.75 MAPT (0.49) TDP1L3MBTL1MEN1LMNATSHR
SCHEMBL8492320 0.75
SCHEMBL7846190 0.72 KEAP1 (0.41) L3MBTL1LMNATSHRHPGDSMN1; SMN2
SCHEMBL6457920 0.72 HRH1 (0.37) SMN1; SMN2

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