SCHEMBL9822759

SCHEMBL9822759

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.61
ECE1 P42892 6/20 0.60
CTSL P07711 1/20 0.59
MMP2 P08253 4/20 0.58
MMP8 P22894 4/20 0.58
MMP9 P14780 3/20 0.58
MMP1 P03956 2/20 0.58
TACR3 P29371 1/20 0.57
GHSR Q92847 1/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55

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
SCHEMBL30051618 1.00 ACE (0.61) ACEECE1CTSLMMP2MMP8
SCHEMBL29380319 0.94 ERAP2 (0.64) ECE1MMP2MMP8MMP9MMP1
SCHEMBL30278841 0.93 ERAP2 (0.60) ACEECE1CTSLMMP2MMP8
SCHEMBL30052548 0.92 CTSC (0.64) ACEECE1CTSLMMP2MMP8
SCHEMBL30052868 0.90 KDM4E (0.60) ACEECE1CTSLMMP2MMP8
SCHEMBL30051322 0.90 ECE1 (0.64) ACEECE1MMP2MMP8MMP9
SCHEMBL30051762 0.89 ACE (0.56) ACEECE1CTSLMMP2MMP8
SCHEMBL30974456 0.88 MMP2 (0.57) ACEECE1CTSLMMP2MMP8
SCHEMBL29679927 0.88 CTSL (0.55) ACEECE1CTSLMMP2MMP8
SCHEMBL24719147 0.88 BCL2A1 (0.64) ACEECE1CTSLTACR3

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 4 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
US-5036052-A Containing a dipeptide of tryptophan and alanine or lecine and no stabilizer; discoloration inhibition MORISHITA PHARMACEUTICAL CO., LTD. (JP) 1991-07-30 US disclosed
EP-0347890-A1 Amino acid nutrient compositions Roussel Morishita Co., Ltd. (JP) 1989-12-27 EP disclosed
EP-0234186-A1 Use of oligopeptids for the treatment of cerebral disorders Fresenius AG (DE) 1987-09-02 EP disclosed