SCHEMBL9868965

SCHEMBL9868965

NCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.65
NFKB1 P19838 3/20 0.65
HTR1A P08908 3/20 0.65
HTR2A P28223 3/20 0.65
HTR2C P28335 3/20 0.65
HTR2B P41595 3/20 0.65
TSHR P16473 3/20 0.65
BLM P54132 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 2/20 0.65
PMP22 Q01453 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP3A4 P08684 2/20 0.65
HTR7 P34969 2/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 2/20 0.65
ADORA3 P0DMS8 1/20 0.65
ALOX15 P16050 1/20 0.65
SLC6A4 P31645 1/20 0.65
MTOR P42345 1/20 0.65

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
SCHEMBL20182273 0.89 NPSR1 (0.63) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL20182261 0.89 NPSR1 (0.63) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL27964771 0.87 NPSR1 (0.60) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL23501891 0.87 NPSR1 (0.60) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL23501892 0.87 NPSR1 (0.60) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL19252917 0.86 NPSR1 (0.63) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL3043368 0.86 NPSR1 (0.63) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL6338422 0.86 NPSR1 (0.70) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL23501887 0.86 BLM (0.59) NPSR1NFKB1HTR1AHTR2AHTR2C
SCHEMBL11486815 0.86 NPSR1 (0.59) NPSR1NFKB1HTR1AHTR2AHTR2C

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