SCHEMBL20041101

SCHEMBL20041101

CC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
ALDH1A1 P00352 1/20 0.40
OPRK1 P41145 3/20 0.39
POLB P06746 3/20 0.38
OPRD1 P41143 6/20 0.37
OPRM1 P35372 4/20 0.37
HRH1 P35367 1/20 0.37
CA2 P00918 1/20 0.35
CPA1 P15085 1/20 0.35
CPA2 P48052 1/20 0.35
CPA4 Q9UI42 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL24581817 0.93 AKT1 (0.44) AKT1OPRK1
SCHEMBL16485195 0.91 AKT1 (0.49) AKT1ALDH1A1OPRK1OPRD1OPRM1
SCHEMBL25848726 0.88 AKT1 (0.49) AKT1OPRK1OPRD1OPRM1
SCHEMBL26082961 0.87 AKT1 (0.48) AKT1OPRK1OPRD1OPRM1HRH1
SCHEMBL20646327 0.87 AKT1 (0.45) AKT1OPRK1OPRD1OPRM1
SCHEMBL21153677 0.86 ALDH1A1 (0.42) ALDH1A1OPRK1POLBOPRD1OPRM1
SCHEMBL27336666 0.86 AKT1 (0.45) AKT1OPRK1OPRD1OPRM1HRH1
SCHEMBL30805368 0.85 AKT1 (0.43) AKT1HRH1
SCHEMBL26129741 0.85 AKT1 (0.45) AKT1
SCHEMBL31310248 0.85 AKT1 (0.45) AKT1

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-2907824-B1 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2018-04-11 EP disclosed