SCHEMBL9315967

SCHEMBL9315967

NCCCC[C@H](N)C(=O)c1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
DPP7 Q9UHL4 7/20 0.44
DPP9 Q86TI2 4/20 0.44
DPP8 Q6V1X1 4/20 0.44
MMP2 P08253 1/20 0.40
P2RX7 Q99572 1/20 0.40
LTA4H P09960 1/20 0.39
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
DPP4 P27487 1/20 0.36
RNPEP Q9H4A4 1/20 0.35
HRH1 P35367 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
SCHEMBL9315974 1.00 GSR (0.48) GSRDPP7DPP9DPP8MMP2
SCHEMBL27475290 0.81 GSK3B (0.50) GSRDPP7DPP9DPP8MMP2
SCHEMBL31411149 0.81 GSK3B (0.50) GSRDPP7DPP9DPP8MMP2
SCHEMBL8645671 0.79 DPP9 (0.42) GSRDPP7DPP9DPP8MMP2
SCHEMBL8645667 0.79 DPP9 (0.42) GSRDPP7DPP9DPP8MMP2
SCHEMBL8582274 0.76 KDM4E (0.51) GSRDPP7DPP9DPP8MMP2
SCHEMBL8580792 0.76 KDM4E (0.51) GSRDPP7DPP9DPP8MMP2
SCHEMBL28560114 0.75 P2RX7 (0.38) DPP7P2RX7
SCHEMBL15941448 0.75 P2RX7 (0.38) DPP7P2RX7
SCHEMBL28044670 0.74 GSR (0.43) GSRDPP7DPP9DPP8MMP2

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-5328913-A Skin disorders and fibrotic disorders DUKE UNIVERSITY (US) 1994-07-12 US disclosed