SCHEMBL25848726

SCHEMBL25848726

CNC(=O)CCNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.49
OPRK1 P41145 3/20 0.39
CHRNA1 P02708 2/20 0.38
CHRNG P07510 2/20 0.38
CHRNB1 P11230 2/20 0.38
CHRND Q07001 2/20 0.38
TACR2 P21452 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SRC P12931 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRM1 P35372 1/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP8 P22894 2/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL16485195 0.91 AKT1 (0.49) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL20041101 0.88 AKT1 (0.45) AKT1OPRK1OPRD1OPRM1
SCHEMBL24581817 0.88 AKT1 (0.44) AKT1OPRK1CTSB
SCHEMBL26082961 0.88 AKT1 (0.48) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL20646327 0.87 AKT1 (0.45) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL27336666 0.86 AKT1 (0.45) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL25871146 0.85 AKT1 (0.45) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL27336140 0.84 AKT1 (0.42) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL27336098 0.84 AKT1 (0.42) AKT1OPRK1CHRNA1CHRNGCHRNB1
SCHEMBL25871508 0.83 AKT1 (0.47) AKT1MMP1MMP3MMP8

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-4212552-A1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE Daiichi Sankyo Company, Limited (JP) 2023-07-19 EP disclosed