SCHEMBL7313618

SCHEMBL7313618

CSCC[C@H](NCCc1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
ANPEP P15144 1/20 0.47
LTA4H P09960 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
CA2 P00918 1/20 0.43
OPRK1 P41145 1/20 0.43
GAA P10253 1/20 0.42
GGT1 P19440 1/20 0.42

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
SCHEMBL10764115 0.92 GGT1 (0.52) CA1ANPEPFNTAFNTBGGT1
Hydrochloric Acid SCHEMBL11094927 0.91 GGT1 (0.51) CA1ANPEPFNTAFNTBGGT1
SCHEMBL7265651 0.86 ANPEP (0.55) ANPEPLTA4HGAA
SCHEMBL30882671 0.85 OPRK1 (0.49) ANPEPCA2OPRK1GAAGGT1
SCHEMBL30882505 0.85 OPRK1 (0.49) ANPEPCA2OPRK1GAAGGT1
SCHEMBL8936109 0.85 CA1 (0.57) CA1ANPEPLTA4HFNTAFNTB
Hydrochloric Acid SCHEMBL30882685 0.84 OPRK1 (0.48) ANPEPCA2OPRK1GAAGGT1
SCHEMBL7305459 0.83 MTNR1A (0.48) ANPEPFNTAFNTBOPRK1GAA
SCHEMBL8615415 0.82 CTSK (0.53) OPRK1GGT1
SCHEMBL2246535 0.81 KEAP1 (0.49) GGT1

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