SCHEMBL8129090

SCHEMBL8129090

CN(C)C(=O)CC1CCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
HSP90AA1 P07900 1/20 0.37
BAZ1A Q9NRL2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
AKR1B1 P15121 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8139674 0.88 L3MBTL1 (0.39) L3MBTL1ALDH1A1AKR1B1
SCHEMBL8137807 0.87 CYP1A2 (0.43) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL8144705 0.81 KDM4C (0.37) MAPTGAA
SCHEMBL8566099 0.77 LTA4H (0.39) MEN1KMT2ASMN1; SMN2GAA
SCHEMBL10407545 0.77 HSP90AA1 (0.38) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL8139680 0.74 STAT3 (0.38) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8143247 0.74 PPARG (0.46) AKR1B1
SCHEMBL12211579 0.72 HSP90AA1 (0.40) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL6339100 0.72 KCNE1 (0.45) MEN1KMT2ARAB9AMAPTMAPK1
SCHEMBL6339097 0.72 KCNE1 (0.45) MEN1KMT2ARAB9AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019412-A1 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT 1D? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-07-19 EP disclosed
US-5972935-A Biphenyl(thio)amide and bipennylethan(thi) one derivatives, their preparation and their use as 5-HT1D receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1999-10-26 US disclosed
WO-1997007120-A9 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS 1997-04-03 WO disclosed
WO-1997007120-A1 BIPHENYL(THIO)AMIDE AND BIPHENYLETHAN(THI)ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-27 WO disclosed