SCHEMBL7315824

SCHEMBL7315824

CC(C)C(C#N)(CCCCC(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TACR1 P25103 8/20 0.39
CFD P00746 1/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
DPP4 P27487 1/20 0.38
XIAP P98170 4/20 0.37
BIRC3 Q13489 4/20 0.37
BIRC2 Q13490 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL7308389 0.89 TACR1 (0.42) TACR1CFDDPP8DPP7XIAP
SCHEMBL7318712 0.88 DPP8 (0.43) TACR1CFDDPP8DPP7DPP4
SCHEMBL7304910 0.85 F2 (0.40) TACR1CFDDPP8DPP7XIAP
SCHEMBL7317505 0.83 TACR1 (0.41) TACR1CFDDPP8DPP7DPP4
SCHEMBL7316930 0.80 TACR1 (0.42) TACR1CFDDPP8DPP7XIAP
SCHEMBL7315075 0.80 TACR1 (0.43) TACR1CFDDPP8DPP7DPP4
SCHEMBL7308390 0.80 TACR1 (0.44) TACR1CFDDPP8DPP7DPP4
SCHEMBL8083547 0.80 TACR1 (0.44) TACR1CFDDPP8DPP7DPP4
SCHEMBL7308379 0.80 TACR1 (0.44) TACR1CFDDPP8DPP7DPP4
SCHEMBL7316941 0.77 DPP8 (0.41) TACR1CFDDPP8DPP7XIAP

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