SCHEMBL9692377

SCHEMBL9692377

NCCCCC(N)C(=O)C1(C(=O)O)CCCN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.49
DPP9 Q86TI2 2/20 0.49
MMP2 P08253 1/20 0.39
MC4R P32245 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
TGM2 P21980 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
SSTR3 P32745 1/20 0.34
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL9692357 0.99 DPP8 (0.48) DPP8DPP9MMP2MC4RTDP1
SCHEMBL7660275 0.74
SCHEMBL6244065 0.74
SCHEMBL7759076 0.72 OPRK1 (0.41) DPP8DPP9MMP2DPP4DPP7
SCHEMBL6245105 0.72 DPP8 (0.50) DPP8DPP9MMP2MC4RHTR2A
SCHEMBL10445820 0.70 DPP8 (0.48) DPP8DPP9MMP2MC4RHTR2A
Hydrochloric Acid SCHEMBL10699093 0.70 DPP8 (0.47) DPP8DPP9MMP2TDP1HTR2A
SCHEMBL10445821 0.69 DPP8 (0.48) DPP8DPP9MMP2MC4RHTR2A
SCHEMBL7760131 0.68 ITGB3 (0.43) DPP8DPP9DPP4DPP7
SCHEMBL10499178 0.68 DPP8 (0.48) DPP8DPP9MMP2MC4RHTR2A

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
EP-0165492-B1 PROCESS FOR MANUFACTURING PREPARATIONS PROMOTING WOUND HEALING, AND SUCH PREPARATIONS BERLIN-CHEMIE Aktiengesellschaft (DE) 1992-10-14 EP claimed