SCHEMBL7309067

SCHEMBL7309067

CC(NC(=O)[C@H]1CCCN1C(=O)CCCCC(C#N)(c1ccccc1)C(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.41
F2 P00734 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PRSS1 P07477 1/20 0.40
RECQL P46063 1/20 0.40
FKBP1A P62942 2/20 0.40
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
CHRM3 P20309 1/20 0.39
ACE2 Q9BYF1 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GAA P10253 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
SCHEMBL7309074 1.00 ACE (0.41) ACEF2KDM4EPRSS1RECQL
SCHEMBL8083547 0.93 TACR1 (0.44) ACEF2PRSS1DPP4DPP8
SCHEMBL7308390 0.93 TACR1 (0.44) ACEF2PRSS1DPP4DPP8
SCHEMBL7308379 0.93 TACR1 (0.44) ACEF2PRSS1DPP4DPP8
SCHEMBL7316690 0.88 F2 (0.42) ACEF2PRSS1FKBP1ADPP4
SCHEMBL7316700 0.88 F2 (0.42) ACEF2PRSS1FKBP1ADPP4
SCHEMBL7307561 0.88 ACE (0.38) ACEF2PRSS1DPP4ACE2
SCHEMBL7306120 0.87 ACE (0.48) ACEDPP4DPP8CHRM3ACE2
SCHEMBL7306125 0.87 ACE (0.48) ACEDPP4DPP8CHRM3ACE2
SCHEMBL7307838 0.87 F2 (0.47) ACEF2ACE2

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