SCHEMBL7314196

SCHEMBL7314196

CC(C)C(C#N)(c1ccccc1)S(=O)(=O)CCCC(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.44
TACR1 P25103 8/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ACE P12821 1/20 0.40
F2 P00734 3/20 0.39
XIAP P98170 4/20 0.39
BIRC3 Q13489 4/20 0.39
BIRC2 Q13490 4/20 0.39
PRSS1 P07477 1/20 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
SCHEMBL8083547 0.82 TACR1 (0.44) CFDTACR1DPP8DPP7ACE
SCHEMBL7308390 0.82 TACR1 (0.44) CFDTACR1DPP8DPP7ACE
SCHEMBL7308379 0.82 TACR1 (0.44) CFDTACR1DPP8DPP7ACE
SCHEMBL7316941 0.82 DPP8 (0.41) CFDTACR1DPP8DPP7ACE
SCHEMBL7316930 0.81 TACR1 (0.42) CFDTACR1DPP8DPP7ACE
SCHEMBL7315075 0.81 TACR1 (0.43) CFDTACR1DPP8DPP7F2
SCHEMBL7318712 0.81 DPP8 (0.43) CFDTACR1DPP8DPP7ACE
SCHEMBL7308389 0.80 TACR1 (0.42) CFDTACR1DPP8DPP7ACE
SCHEMBL7317377 0.79 TACR1 (0.44) CFDTACR1DPP8DPP7ACE
SCHEMBL7310736 0.77 TACR1 (0.47) CFDTACR1DPP8DPP7ACE

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