SCHEMBL9822619

SCHEMBL9822619

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.61
▸ KDM4E B2RXH2 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MMP9 P14780 2/20 0.58
▸ MMP8 P22894 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ECE1 P42892 7/20 0.57
▸ P2RY14 Q15391 1/20 0.57
▸ ALOX15 P16050 1/20 0.56
▸ OPRM1 P35372 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ MMP3 P08254 1/20 0.55
▸ GHSR Q92847 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
SCHEMBL29493334 1.00 ACE (0.61) ACEKDM4EPOLBAPAF1MAPT
SCHEMBL31571452 0.94 MMP2 (0.58) ACEKDM4EPOLBAPAF1MAPT
SCHEMBL3855087 0.90 ACE (0.56) ACEKDM4EPOLBAPAF1MAPT
SCHEMBL3855086 0.90 ACE (0.56) ACEKDM4EPOLBAPAF1MAPT
SCHEMBL30051742 0.90 ACE (0.68) ACEECE1P2RY14ALOX15
SCHEMBL30051401 0.89 ACE (0.59) ACEKDM4EPOLBAPAF1MAPT
SCHEMBL9822645 0.89 ECE1 (0.68) ACEMMP9MMP8ECE1MMP1
SCHEMBL30051404 0.89 ECE1 (0.68) ACEMMP9MMP8ECE1MMP1
SCHEMBL30834730 0.89 ACE (0.58) ACEKDM4EPOLBAPAF1MAPT
SCHEMBL9822708 0.88 ACE (0.65) ACEKDM4EPOLBAPAF1MAPT

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
Send feedback