SCHEMBL17029472

SCHEMBL17029472

NCCCCCC(=O)C(N)CCCCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.59
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM1 P11229 1/20 0.55
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PLG P00747 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
SLC6A2 P23975 1/20 0.48
RECQL P46063 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
PAOX Q6QHF9 1/20 0.46
DPP7 Q9UHL4 7/20 0.45
DPP8 Q6V1X1 3/20 0.45

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
SCHEMBL19186295 0.94 CHRM2 (0.54) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL29622843 0.92 LMNA (0.63) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL30421734 0.92 GSR (0.52) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL29622881 0.92 LMNA (0.63) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL3959872 0.92 LMNA (0.63) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL9840679 0.91 GSR (0.59) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL15131921 0.91 PAOX (0.64) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL22188127 0.91 GSR (0.50) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL32676289 0.91 GNAI3 (0.64) GSRCHRM2CHRM4CHRM1GNAI3
SCHEMBL3950764 0.91 CHRM2 (0.51) GSRCHRM2CHRM4CHRM1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 EP disclosed