SCHEMBL28616502

SCHEMBL28616502

NCCCCC(N)C(=O)N=C=S

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.52
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
DPP7 Q9UHL4 13/20 0.37
DPP8 Q6V1X1 7/20 0.37
DPP9 Q86TI2 6/20 0.37
DPP4 P27487 5/20 0.37
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 1/20 0.34
FAP Q12884 1/20 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
SCHEMBL26606339 0.83 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL27005 0.83 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL13084137 0.76 GSR (0.59) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL13592271 0.76 GSR (0.59) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL14215018 0.76 GSR (0.59) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL331322 0.75 GSR (0.33) GSRRNPEPCPB2
SCHEMBL2058457 0.75 FOLH1 (0.36) GSRRNPEPCPB2
SCHEMBL5501937 0.73 GSR (0.55) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL31397604 0.73 RNPEP (0.36) RNPEP
SCHEMBL7294151 0.72 GSR (0.53) GSRGNAI3GNAO1GNAI1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412280-A Activity modulating antibodies 海德格霍格有限公司 2021-09-17 CN disclosed
CN-113330035-A Anti-beta 1integrin humanized antibody and pharmaceutical composition for treating cancer comprising the same SG医疗株式会社 2021-08-31 CN disclosed