SCHEMBL27843751

SCHEMBL27843751

NCCC(C(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
CYP2C19 P33261 1/20 0.52
EPHX1 P07099 1/20 0.47
HTR2A P28223 1/20 0.45
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
ROCK2 O75116 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
TBXAS1 P24557 2/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42

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
SCHEMBL1613696 0.98 HRH1 (0.56) HRH1CYP2C19EPHX1HTR2ACYP2D6
Hydrochloric Acid SCHEMBL1093394 0.96 HRH1 (0.54) HRH1CYP2C19EPHX1HTR2ACYP2D6
SCHEMBL3781893 0.86 HRH1 (0.59) HRH1CYP2C19EPHX1HTR2ACYP2D6
SCHEMBL11115550 0.86 HRH1 (0.56) HRH1CYP2C19EPHX1HTR2ACYP2D6
SCHEMBL30371912 0.85 CYP2C19 (0.61) CYP2C19EPHX1CYP2D6SRCPOLB
SCHEMBL5322781 0.85 HRH1 (0.52) HRH1CYP2C19EPHX1HTR2ATBXAS1
SCHEMBL27691659 0.84 EPHX1 (0.61) HRH1CYP2C19EPHX1HTR2ACYP2D6
SCHEMBL11502865 0.84 HRH1 (0.54) HRH1CYP2C19EPHX1HTR2ACYP2D6
SCHEMBL20850639 0.83 TBXAS1 (0.54) HRH1CYP2C19EPHX1HTR2ATBXAS1
SCHEMBL12824732 0.82 HRH1 (0.52) HRH1CYP2C19EPHX1HTR2AGABBR2

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
CN-102276487-B Preparation method of trimebutine YUEYANG YETOP FINE CHEMICAL CO LTD 2013-06-12 CN disclosed
CN-102276487-A Preparation method of trimebutine YUEYANG YETOP FINE CHEMICAL CO LTD 2011-12-14 CN disclosed