SCHEMBL8950857

SCHEMBL8950857

NCCCC[C@H](N)C(=O)OC(=O)CCCC(=O)OC(=O)[C@@H](N)CCCCN

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.52
CYP1A2 P05177 1/20 0.41
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
DPP7 Q9UHL4 8/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
DPP4 P27487 2/20 0.37
RNPEP Q9H4A4 1/20 0.37
CPB2 Q96IY4 3/20 0.37
FOLH1 Q04609 1/20 0.37
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 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
SCHEMBL1065054 0.96 GSR (0.52) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL8759024 0.96 GSR (0.52) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL3338905 0.95 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL28792808 0.95 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL14343195 0.95 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL5379254 0.95 GSR (0.50) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL1191631 0.94 GSR (0.53) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL5010331 0.94 GSR (0.53) GSRCYP1A2GNAI3GNAO1GNAI1
SCHEMBL27632676 0.93 GSR (0.50) GSRCYP1A2RNPEPFOLH1CYP2D6
Water SCHEMBL5501375 0.93 GSR (0.52) GSRCYP1A2GNAI3GNAO1GNAI1

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
US-5491212-A Method for preparing polysuccinimides using a rotary tray dryer ROHM AND HAAS COMPANY (US) 1996-02-13 US disclosed