SCHEMBL6700436

SCHEMBL6700436

CC(C)C(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)CCCCN)C(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.45
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
CPB2 Q96IY4 3/20 0.43
FURIN P09958 4/20 0.43
PCSK6 P29122 1/20 0.43
CTSL P07711 1/20 0.42
ERAP2 Q6P179 1/20 0.42
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
FOLH1 Q04609 1/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL6700441 1.00 GSR (0.45) GSRDPP8DPP9DPP7CPB2
SCHEMBL30894714 0.92 FURIN (0.45) GSRDPP8DPP9DPP7CPB2
SCHEMBL29630321 0.92 CTSD (0.48) GSRDPP8DPP9DPP7CPB2
SCHEMBL29630423 0.92 FURIN (0.45) GSRDPP8DPP9DPP7CPB2
SCHEMBL4270981 0.92 FOLH1 (0.48) GSRDPP8DPP9DPP7CPB2
SCHEMBL4270994 0.92 FOLH1 (0.48) GSRDPP8DPP9DPP7CPB2
SCHEMBL11249367 0.91 FOLH1 (0.52) GSRDPP8DPP9DPP7CPB2
SCHEMBL30436412 0.91 FOLH1 (0.47) GSRDPP8DPP9DPP7CPB2
SCHEMBL31722025 0.90 GSR (0.55) GSRDPP8DPP9DPP7CPB2
SCHEMBL22612668 0.90 GSR (0.55) GSRDPP8DPP9DPP7CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040013683-A1 Derivatives of soluble T-4 THE TRUSTEES OF COLUMBIA UNIVERSITY (US) 2004-01-22 US disclosed
US-6673896-B1 PROTEIN WHICH COMPLEXES WITH HUMAN IMMUNODEFICIENCY VIRUS ENVELOPE GLYCOPROTEIN THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-01-06 US disclosed
WO-1989008143-A1 DERIVATIVES OF SOLUBLE T-4 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1989-09-08 WO disclosed