SCHEMBL7777173

SCHEMBL7777173

COc1c[c]c(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 8/20 0.48
DPP7 Q9UHL4 8/20 0.43
DPP4 P27487 5/20 0.43
DPP9 Q86TI2 3/20 0.43
FAP Q12884 1/20 0.43
ACE P12821 2/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
F2 P00734 2/20 0.38

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
SCHEMBL9489213 0.75 ALDH1A1 (0.48) DPP8DPP7DPP4DPP9FAP
SCHEMBL9489209 0.75 ALDH1A1 (0.48) DPP8DPP7DPP4DPP9FAP
SCHEMBL1006699 0.74 DPP8 (0.47) DPP8DPP7DPP4DPP9FAP
Hydrochloric Acid SCHEMBL16909077 0.70 ACE (0.67) DPP8ACEF2
SCHEMBL2113410 0.69 DPP7 (0.65) DPP8DPP7DPP4DPP9FAP
SCHEMBL2113409 0.69 DPP7 (0.65) DPP8DPP7DPP4DPP9FAP
SCHEMBL2123083 0.69 DPP7 (0.65) DPP8DPP7DPP4DPP9FAP
SCHEMBL2123080 0.69 DPP7 (0.65) DPP8DPP7DPP4DPP9FAP
SCHEMBL29406923 0.69 DPP7 (0.65) DPP8DPP7DPP4DPP9FAP
SCHEMBL27796855 0.69 DPP7 (0.65) DPP8DPP7DPP4DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121600-A2 METHOD AND SUBSTANCES FOR DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS B.R.A.H.M.S Diagnostica GmbH (DE) 2001-08-08 EP disclosed
WO-2000022439-A2 METHOD AND SUBSTANCES FOR DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS B.R.A.H.M.S DIAGNOSTICA GMBH (DE) 2000-04-20 WO disclosed