SCHEMBL28296680

SCHEMBL28296680

CC(C)C(=O)NCCC(N)CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.43
DNPEP Q9ULA0 3/20 0.43
DPP7 Q9UHL4 2/20 0.40
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RRM1 P23921 1/20 0.39
RNPEP Q9H4A4 3/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
LAP3 P28838 3/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 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
SCHEMBL24072739 0.80 ANPEP (0.43) ANPEPDNPEPDPP7KMT2ACYP2D6
SCHEMBL23969903 0.79 PAOX (0.47) ANPEPDNPEPDPP7RNPEPTSHR
SCHEMBL21973387 0.79 ANPEP (0.34) ANPEPDNPEPDPP7KMT2ACYP2D6
SCHEMBL23969905 0.79 PAOX (0.47) ANPEPDNPEPDPP7RNPEPTSHR
SCHEMBL3088754 0.76
SCHEMBL11129 0.76 ANPEP (0.55) ANPEPDNPEPKMT2ACYP2D6CYP2C9
SCHEMBL1768888 0.76 GSR (0.43) ANPEPDNPEPDPP7KMT2ACYP2D6
SCHEMBL1768887 0.76 GSR (0.43) ANPEPDNPEPDPP7KMT2ACYP2D6
SCHEMBL12131751 0.75 USP2 (0.55) ANPEPDNPEPKMT2ACYP2D6CYP2C9
SCHEMBL10206875 0.74 ARG2 (0.45) ANPEPDNPEPDPP7KMT2ACYP2D6

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
CN-109666162-A A kind of energy-absorbing method based on dynamic crosslinking polymer 翁秋梅 2019-04-23 CN disclosed