SCHEMBL9870210

SCHEMBL9870210

C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.66
▸ ECE1 P42892 9/20 0.61
▸ OPRM1 P35372 1/20 0.61
▸ OPRD1 P41143 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ERAP2 Q6P179 1/20 0.59
▸ P2RY14 Q15391 1/20 0.58
▸ TP53 P04637 1/20 0.58

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
SCHEMBL29429294 1.00 ACE (0.66) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30053213 0.92 ACE (0.64) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30052764 0.90 KDM4E (0.62) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30051470 0.90 ECE1 (0.66) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL30051300 0.89 ACE (0.60) ACEECE1OPRM1OPRD1ALOX15
SCHEMBL1228369 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL2488765 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL9235805 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL9235801 0.89 ACE (0.78) ACEECE1ALOX15
SCHEMBL29400177 0.89 ACE (0.78) ACEECE1ALOX15

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-0234186-B1 USE OF OLIGOPEPTIDS FOR THE TREATMENT OF CEREBRAL DISORDERS Fresenius AG (DE) 1991-11-06 — — EP disclosed
EP-0234186-A1 Use of oligopeptids for the treatment of cerebral disorders Fresenius AG (DE) 1987-09-02 — — EP disclosed
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