SCHEMBL7285903

SCHEMBL7285903

NCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]([C]=O)Cc1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CHRNA1 P02708 4/20 0.39
▸ CHRNG P07510 4/20 0.39
▸ CHRNB1 P11230 4/20 0.39
▸ CHRND Q07001 4/20 0.39
▸ GRIA1 P42261 2/20 0.39
▸ F2 P00734 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CALCRL Q16602 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL7285888 1.00 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL7296888 0.87 BMP1 (0.48) —
SCHEMBL2354522 0.82 SLC15A2 (0.46) CHRNA1CHRNGCHRNB1CHRNDCALCRL
SCHEMBL2354514 0.82 SLC15A2 (0.46) CHRNA1CHRNGCHRNB1CHRNDCALCRL
SCHEMBL2243025 0.81 SLC15A2 (0.45) CHRNA1CHRNGCHRNB1CHRNDCALCRL
SCHEMBL2814077 0.81 SLC15A2 (0.47) MMP2CALCRLITGB3ITGA2B
SCHEMBL7286963 0.81 PSMB5 (0.51) MMP2MMP1MMP3MMP8
SCHEMBL7286971 0.81 PSMB5 (0.51) MMP2MMP1MMP3MMP8
SCHEMBL2193829 0.81 SLC15A2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL7285504 0.80 CTSS (0.50) MMP1

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
EP-0264106-B1 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use BANYU PHARMA CO LTD (JP) 1994-03-16 — — EP disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 — — US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 — — EP disclosed
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