SCHEMBL7316941

SCHEMBL7316941

CCCS(=O)(=O)C(C#N)(CCCCC(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
TACR1 P25103 8/20 0.41
CFD P00746 1/20 0.40
F2 P00734 4/20 0.40
ACE P12821 3/20 0.39
ACE2 Q9BYF1 3/20 0.39
PRSS1 P07477 1/20 0.39
XIAP P98170 1/20 0.37
BIRC3 Q13489 1/20 0.37
BIRC2 Q13490 1/20 0.37

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
SCHEMBL7315075 0.90 TACR1 (0.43) DPP8DPP7TACR1CFDF2
SCHEMBL7316930 0.89 TACR1 (0.42) DPP8DPP7TACR1CFDF2
SCHEMBL7308379 0.82 TACR1 (0.44) DPP8DPP7TACR1CFDF2
SCHEMBL7308390 0.82 TACR1 (0.44) DPP8DPP7TACR1CFDF2
SCHEMBL8083547 0.82 TACR1 (0.44) DPP8DPP7TACR1CFDF2
SCHEMBL7314196 0.82 CFD (0.44) DPP8DPP7TACR1CFDF2
SCHEMBL7308389 0.81 TACR1 (0.42) DPP8DPP7TACR1CFDF2
SCHEMBL7318712 0.81 DPP8 (0.43) DPP8DPP7TACR1CFDF2
SCHEMBL7317377 0.79 TACR1 (0.44) DPP8DPP7TACR1CFDF2
SCHEMBL7315824 0.77 ALDH1A1 (0.41) DPP8DPP7TACR1CFDXIAP

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed