SCHEMBL7316398

SCHEMBL7316398

NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.56
▸ FOLH1 Q04609 2/20 0.56
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ DPP8 Q6V1X1 1/20 0.52
▸ DPP7 Q9UHL4 1/20 0.52
▸ KEAP1 Q14145 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ TGM2 P21980 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ CPB1 P15086 1/20 0.50
▸ CPB2 Q96IY4 1/20 0.50

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
SCHEMBL7311020 0.86 FOLH1 (0.58) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL7318212 0.86 FOLH1 (0.58) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL21231838 0.85 FOLH1 (0.61) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL8120405 0.84 HTT (0.56) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL22674651 0.84 FOLH1 (0.60) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL23505268 0.81 FOLH1 (0.60) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL7316399 0.81 ANPEP (0.64) FOLH1HTTDPP8DPP7TGM2
Hydrochloric Acid SCHEMBL8068240 0.81 HTT (0.53) SIRT2FOLH1MMP2MMP9HTT
SCHEMBL17073781 0.81 CTSL (0.63) SIRT2FOLH1MMP2MMP9DPP8
SCHEMBL8111499 0.80 HTT (0.52) SIRT2FOLH1MMP2MMP9HTT

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
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