SCHEMBL7317840

SCHEMBL7317840

CSCC[C@H](N)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.51
FNTA P49354 5/20 0.49
FNTB P49356 5/20 0.49
PGGT1B P53609 5/20 0.49
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CXCR3 P49682 1/20 0.46
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 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
SCHEMBL7305453 0.87 CNR1 (0.57) CTSCFNTAFNTBPGGT1BMTNR1A
SCHEMBL7310000 0.81 FNTA (0.41) CTSCFNTAFNTBPGGT1BSLC1A2
SCHEMBL9366600 0.81 ANPEP (0.59) CTSCFNTAFNTBPGGT1BANPEP
SCHEMBL7303552 0.81 CTSC (0.48) CTSCFNTAFNTBPGGT1BANPEP
SCHEMBL6819534 0.81 ANPEP (0.59) CTSCFNTAFNTBPGGT1BANPEP
SCHEMBL7374474 0.80 MMP2 (0.47) CTSCFNTAFNTBPGGT1BMMP2
SCHEMBL7313421 0.80 POLB (0.55) CTSC
SCHEMBL7313409 0.80 POLB (0.55) CTSC
SCHEMBL8686936 0.80 ANPEP (0.57) CTSCFNTAFNTBPGGT1BANPEP
SCHEMBL7313613 0.79 CTSC (0.62) CTSCFNTAFNTBPGGT1B

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