SCHEMBL3966029

SCHEMBL3966029

CC(O)C(Cl)NCc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41

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
SCHEMBL3966026 0.83 SIGMAR1 (0.53) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3099211 0.83 SIGMAR1 (0.53) CYP2C19CYP1A2CYP2D6MEN1KMT2A
SCHEMBL9415891 0.82 CYP2C19 (0.63) CYP2C19CYP1A2CYP2D6KCNH2TMEM97
Hydrochloric Acid SCHEMBL11352044 0.81 CYP2C19 (0.66) CYP2C19CYP1A2CYP2D6KCNH2TMEM97
SCHEMBL3661622 0.80 ALDH1A1 (0.58) KCNH2TMEM97MEN1KMT2A
SCHEMBL7855536 0.78 CYP2C19 (0.53) CYP2C19CYP1A2CYP2D6KCNH2TMEM97
SCHEMBL2257390 0.76 KCNH2 (0.56) CYP2C19CYP1A2CYP2D6KCNH2TMEM97
SCHEMBL2257396 0.76 KCNH2 (0.56) CYP2C19CYP1A2CYP2D6KCNH2TMEM97
SCHEMBL19685408 0.75 CYP2C19 (0.58) CYP2C19CYP1A2CYP2D6KCNH2TMEM97
SCHEMBL3961688 0.74 MEN1 (0.57) MEN1KMT2APOLBMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784407-A4 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2009-02-11 EP disclosed
EP-1784407-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-05-16 EP disclosed
WO-2006025634-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed