SCHEMBL17178203

SCHEMBL17178203

NCCC(=O)NCCOCCOCCC(=O)NCC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
CHRND Q07001 2/20 0.44
MMP2 P08253 1/20 0.44
QRFPR Q96P65 5/20 0.43
TACR2 P21452 2/20 0.41
CCKAR P32238 1/20 0.41
CCKBR P32239 1/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH1 P35367 1/20 0.40
F2 P00734 1/20 0.40
PARP1 P09874 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL16485173 0.88 CHRNB2 (0.48) CHRNA1CHRNGCHRNB1CHRNDTACR2
SCHEMBL16485412 0.88 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNDMMP2
SCHEMBL21153677 0.84 ALDH1A1 (0.42)
SCHEMBL18909647 0.83 ITGB3 (0.49) CHRNA1CHRNGCHRNB1CHRNDITGB3
SCHEMBL30805368 0.82 AKT1 (0.43) CHRNA1CHRNGCHRNB1CHRNDQRFPR
SCHEMBL27154226 0.81 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNDTACR2
SCHEMBL27150500 0.81 CHRNA1 (0.51) CHRNA1CHRNGCHRNB1CHRNDTACR2
SCHEMBL21152554 0.80 ACE (0.40) TACR2
SCHEMBL16330787 0.79 CHRNA1 (0.45) CHRNA1CHRNGCHRNB1CHRNDTACR2
SCHEMBL20041101 0.79 AKT1 (0.45) HRH1

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
WO-2015155998-A1 ANTI-HER3 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-15 WO disclosed