SCHEMBL1387794

SCHEMBL1387794

Cc1ccc(N(CC(=O)O)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39

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
SCHEMBL20187534 0.87 CACNA2D1 (0.49) OPRM1LMNAALDH1A1KDM4ETSHR
SCHEMBL9099124 0.87 KDM4E (0.42) MEN1KMT2AKEAP1NFE2L2OPRM1
SCHEMBL9079952 0.85 MLYCD (0.40) MEN1KMT2AKEAP1NFE2L2OPRM1
SCHEMBL1387733 0.84 ALDH1A1 (0.43) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL9080067 0.82 ALDH1A1 (0.42) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL1387663 0.80 S1PR1 (0.63) MEN1KMT2AALDH1A1
SCHEMBL1387857 0.79 ALDH1A1 (0.43) OPRM1LMNAALDH1A1SMN1; SMN2
SCHEMBL22403100 0.79 CACNA2D1 (0.45) MEN1KMT2AOPRM1ALDH1A1KDM4E
SCHEMBL9079285 0.78 S1PR1 (0.61) MEN1KMT2AALDH1A1
SCHEMBL20199981 0.77 DRD4 (0.43) OPRM1ALDH1A1KDM4ETSHRCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08511809-A — — 1996-12-10 — — JP claimed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 — — US claimed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 — — EP claimed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 — — WO claimed
US-5573752-A Aromatic amide compounds and metal chelates thereof BRACCO INTERNATIONAL B.V. 1996-11-12 — — US disclosed
EP-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 — — EP disclosed
WO-1995027705-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-10-19 — — WO disclosed
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