SCHEMBL9076993

SCHEMBL9076993

NN=CNCCCC(=O)NCC1CCCN1C(=O)C(N)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
DPP8 Q6V1X1 3/20 0.50
DPP9 Q86TI2 3/20 0.50
DPP7 Q9UHL4 3/20 0.50
FAP Q12884 2/20 0.50
F2 P00734 9/20 0.47
PRSS1 P07477 1/20 0.44

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
SCHEMBL9074959 0.87 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL9076978 0.85 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL9077055 0.84 DPP4 (0.48) DPP4DPP8DPP9DPP7FAP
SCHEMBL9077159 0.84 F2 (0.51) F2PRSS1
SCHEMBL9073722 0.78 F2 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL9075894 0.76 F2 (0.77) F2
SCHEMBL9075695 0.75 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL8191997 0.75 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL23256155 0.75 F2 (0.53) F2
SCHEMBL9076761 0.74 F2 (0.78) F2

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-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0623596-A1 N-acylpyrrolidines or N-acylpiperidines having a guanidinyl- or amidinyl-substituted side chain as thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 EP disclosed