SCHEMBL8685265

SCHEMBL8685265

CCOC(=O)c1ccc(OCCc2ncc[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TBXAS1 P24557 1/20 0.51
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
STS P08842 1/20 0.44

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
SCHEMBL8690703 0.87 MAPT (0.60) TDP1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL8690312 0.84 HRH3 (0.58) L3MBTL1MAPTALDH1A1LMNAHRH3
SCHEMBL7804458 0.82 PKM (0.53) TDP1L3MBTL1TBXAS1ALDH1A1LMNA
SCHEMBL8685448 0.79 CYP1A2 (0.48) MAPTALDH1A1LMNAHRH3CYP1A2
SCHEMBL8685427 0.79 GAA (0.56) L3MBTL1MAPTALDH1A1LMNAHRH3
SCHEMBL6701399 0.79 TDP1 (0.74) TDP1L3MBTL1TBXAS1MAPTALDH1A1
SCHEMBL2469647 0.77 NPC1 (0.61) L3MBTL1MAPTALDH1A1LMNA
SCHEMBL4642292 0.77 LMNA (0.50) L3MBTL1TBXAS1MAPTALDH1A1LMNA
SCHEMBL9368395 0.76 NAMPT (0.45) TBXAS1MAPTALDH1A1LMNA
SCHEMBL8690250 0.76 HRH3 (0.48) MAPTALDH1A1LMNAKCNH2HRH3

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-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed