SCHEMBL8696447

SCHEMBL8696447

CCCCS(=O)(=O)N(C)C1CCCN1C(=O)C(N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.53
DPP8 Q6V1X1 7/20 0.53
DPP9 Q86TI2 7/20 0.53
DPP7 Q9UHL4 7/20 0.53
FAP Q12884 5/20 0.53
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
ACE P12821 1/20 0.43

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
SCHEMBL8701022 0.81 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL8698184 0.78 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL24989201 0.74 DPP4 (0.69) DPP4DPP8DPP9DPP7FAP
SCHEMBL8699172 0.74 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL14985801 0.73 DPP4 (0.67) DPP4DPP8DPP9DPP7FAP
SCHEMBL6162266 0.73 DPP4 (0.73) DPP4DPP8DPP9DPP7FAP
SCHEMBL14985790 0.73 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL8696456 0.73 DPP4 (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL9001325 0.72 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP
SCHEMBL9001328 0.72 DPP4 (0.66) DPP4DPP8DPP9DPP7FAP

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
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed