SCHEMBL3048734

SCHEMBL3048734

N=C(N)N1CCCN(C(=O)NC(=O)[C@H](N)CCCCN)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
DPP7 Q9UHL4 8/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 4/20 0.39
DPP4 P27487 2/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GSR P00390 1/20 0.37
FAP Q12884 1/20 0.36

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
SCHEMBL7694261 0.86 DPP7 (0.44) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL1821347 0.76 DPP7 (0.44) DPP7DPP8DPP9DPP4KMT2A
SCHEMBL5499007 0.72 GSR (0.61) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL19088201 0.70 GSR (0.55) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL5495401 0.70 GSR (0.59) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL2694035 0.68 DPP7 (0.64) DPP7DPP8DPP9DPP4ITGB3
SCHEMBL29049118 0.68 DPP7 (0.64) DPP7DPP8DPP9DPP4ITGB3
SCHEMBL6752685 0.67 DPP7 (0.62) DPP7DPP8DPP9DPP4ITGB3
SCHEMBL16430142 0.66 GSR (0.53) GNAI3GNAO1GNAI1DPP7DPP8
SCHEMBL17982113 0.66 GSR (0.53) GNAI3GNAO1GNAI1DPP7DPP8

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-7727963-B2 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2010-06-01 US disclosed