SCHEMBL7304910

SCHEMBL7304910

CC(C)C(C#N)(CCCCC(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
TACR1 P25103 8/20 0.39
GAA P10253 1/20 0.39
CFD P00746 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
XIAP P98170 4/20 0.37
BIRC3 Q13489 4/20 0.37
BIRC2 Q13490 4/20 0.37
FAP Q12884 1/20 0.37
ACE P12821 1/20 0.36

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) F2TACR1CFDDPP8DPP7
SCHEMBL7318712 0.88 DPP8 (0.43) F2TACR1CFDDPP8DPP7
SCHEMBL7315824 0.85 ALDH1A1 (0.41) TACR1CFDDPP8DPP7XIAP
SCHEMBL7319269 0.83 TACR1 (0.41) F2PRSS1TACR1CFDDPP8
SCHEMBL7316930 0.80 TACR1 (0.42) F2TACR1CFDDPP8DPP7
SCHEMBL7315075 0.80 TACR1 (0.43) F2PRSS1TACR1CFDDPP8
SCHEMBL7308390 0.80 TACR1 (0.44) F2PRSS1TACR1CFDDPP8
SCHEMBL7308379 0.80 TACR1 (0.44) F2PRSS1TACR1CFDDPP8
SCHEMBL8083547 0.80 TACR1 (0.44) F2PRSS1TACR1CFDDPP8
SCHEMBL7316941 0.77 DPP8 (0.41) F2PRSS1TACR1CFDDPP8

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