SCHEMBL8083547

SCHEMBL8083547

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.44
CFD P00746 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
XIAP P98170 5/20 0.42
BIRC3 Q13489 5/20 0.42
BIRC2 Q13490 5/20 0.42
ACE P12821 1/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 1/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL7308390 1.00 TACR1 (0.44) TACR1CFDDPP8DPP7XIAP
SCHEMBL7308379 1.00 TACR1 (0.44) TACR1CFDDPP8DPP7XIAP
SCHEMBL7309067 0.93 ACE (0.41) DPP8DPP7ACEF2PRSS1
SCHEMBL7309074 0.93 ACE (0.41) DPP8DPP7ACEF2PRSS1
SCHEMBL7319269 0.89 TACR1 (0.41) TACR1CFDDPP8DPP7XIAP
SCHEMBL7317505 0.89 TACR1 (0.41) TACR1CFDDPP8DPP7XIAP
SCHEMBL7316700 0.88 F2 (0.42) DPP8XIAPACEF2PRSS1
SCHEMBL7316690 0.88 F2 (0.42) DPP8XIAPACEF2PRSS1
SCHEMBL7307561 0.88 ACE (0.38) ACEF2PRSS1DPP4
SCHEMBL7306125 0.87 ACE (0.48) DPP8ACEDPP4

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 1 patent. 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