SCHEMBL11067200

SCHEMBL11067200

NCCCCC(NC=O)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.50
▸ ITGA2B P08514 2/20 0.50
▸ CHRNA1 P02708 3/20 0.48
▸ CHRNG P07510 3/20 0.48
▸ CHRNB1 P11230 3/20 0.48
▸ CHRND Q07001 3/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ MMP2 P08253 1/20 0.47
▸ GRIA1 P42261 2/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ F2 P00734 1/20 0.45
▸ TLR2 O60603 1/20 0.45
▸ CALCRL Q16602 1/20 0.45

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
SCHEMBL11067208 1.00 ITGB3 (0.50) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL29679713 0.87 MMP2 (0.63) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL30786037 0.87 MMP2 (0.63) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL30717893 0.84 GNPAT (0.56) ITGB3ITGA2BMMP2ERAP2LNPEP
SCHEMBL29569077 0.84 GNPAT (0.62) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL14004105 0.83 CHRNA1 (0.53) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL29569357 0.82 ERAP2 (0.61) MMP2ERAP2LNPEP
SCHEMBL11204317 0.81 CPB2 (0.41) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL29540107 0.81 ERAP2 (0.55) CHRNA1CHRNGCHRNB1CHRNDERAP2
SCHEMBL24158507 0.81 ITGB3 (0.46) ITGB3ITGA2BCHRNA1CHRNGCHRNB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4459225-A ANALGESICS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-10 — — US disclosed
EP-0024664-B1 PEPTIDE AMIDES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 — — EP disclosed
EP-0024664-A1 Peptide amides and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1981-03-11 — — EP disclosed
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