SCHEMBL7045246

SCHEMBL7045246

N=C(N)NCCC[C@H](C(=O)N(CC(=O)O)CC(=O)O)N(Cc1ccc(CC(=O)NCC(=O)O)cc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.37
▸ ITGA2B P08514 6/20 0.37
▸ CNR1 P21554 4/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ EPOR P19235 1/20 0.32

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
SCHEMBL7043329 0.91 CNR1 (0.35) ITGB3ITGA2BCNR1CNR2EPOR
SCHEMBL7039868 0.88 ITGB3 (0.33) ITGB3ITGA2BCNR1HPGDHDAC1
SCHEMBL8118813 0.86 TDP1 (0.36) CNR1ALDH1A1
SCHEMBL8112784 0.84 CNR1 (0.41) CNR1CNR2HPGDALDH1A1EPOR
SCHEMBL8120991 0.83 F7 (0.36) CNR1ALDH1A1
SCHEMBL8127029 0.82 NPY1R (0.41) CNR1CNR2EPOR
SCHEMBL8122513 0.82 HDAC3 (0.37) CNR1CNR2HDAC1HDAC7EPOR
SCHEMBL8120085 0.82 CNR1 (0.36) CNR1CNR2EPOR
SCHEMBL8113179 0.82 CNR1 (0.41) CNR1CNR2EPOR
SCHEMBL8112714 0.81 MEN1 (0.42) ITGB3ITGA2BCNR1CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 — — EP disclosed
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