SCHEMBL788202

SCHEMBL788202

Cc1cc(O)c(CCCc2ccccn2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSP90AA1 P07900 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
HSP90AB1 P08238 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
SCHEMBL933038 0.84 NPSR1 (0.55) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
SCHEMBL798358 0.84 CYP2C19 (0.46) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
SCHEMBL8797884 0.79 HRH1 (0.51) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
SCHEMBL932822 0.78 KDM4E (0.47) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
SCHEMBL798050 0.77 ESR1 (0.58) KDM4EGAAALDH1A1
SCHEMBL934115 0.76 KDM4E (0.45) SMN1; SMN2CYP1A2CYP2C19LMNAKDM4E
SCHEMBL29485637 0.76 HRH1 (0.69) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
SCHEMBL231470 0.76 HRH1 (0.69) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
Hydrochloric Acid SCHEMBL841530 0.74 HRH1 (0.67) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3
SCHEMBL5961501 0.74 HRH1 (0.67) HRH1SMN1; SMN2CYP1A2CYP2C19HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP claimed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO claimed
EP-2615930-A2 TASTE ENHANCEMENT Givaudan SA (CH) 2013-07-24 EP disclosed
EP-2531489-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT Givaudan SA (CH) 2012-12-12 EP disclosed
WO-2012035032-A2 TASTE ENHANCEMENT GIVAUDAN SA (CH) 2012-03-22 WO disclosed
WO-2011095533-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT GIVAUDAN SA (CH) 2011-08-11 WO disclosed