SCHEMBL7745371

SCHEMBL7745371

CCCCOC(=O)N1CCC=C(COC(C)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 5/20 0.42
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
BCHE P06276 1/20 0.35
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 1/20 0.35
RNASEL Q05823 1/20 0.35
KMT2A Q03164 2/20 0.34
PTPN1 P18031 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL6664071 0.86 PTPN1 (0.35) SMN1; SMN2LMNAPOLBALDH1A1KMT2A
SCHEMBL7740552 0.84 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL6658347 0.79 ESR2 (0.43) SMN1; SMN2LMNAALDH1A1MAPK1NR1H2
SCHEMBL27563812 0.77 LMNA (0.48) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL9627031 0.76 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL9457164 0.73 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL574934 0.73 SMN1; SMN2 (0.63) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL30643716 0.72 HRH2 (0.47) SMN1; SMN2LMNAPOLBHRH2HRH1
SCHEMBL29736653 0.71 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL856186 0.70 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBALDH1A1HRH2

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-1080075-A4 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARM PROD INC (US) 2001-06-27 EP disclosed
EP-1080075-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2001-03-07 EP disclosed
WO-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 WO disclosed