SCHEMBL9807262

SCHEMBL9807262

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 2/20 0.61
KDM1A O60341 3/20 0.57
TFPI P10646 6/20 0.56
NMUR2 Q9GZQ4 2/20 0.54
NMUR1 Q9HB89 2/20 0.54
MAOB P27338 1/20 0.54
KDM5A P29375 1/20 0.54
KDM1B Q8NB78 1/20 0.54
NPY1R P25929 1/20 0.53
IL23R Q5VWK5 1/20 0.53
NTSR2 O95665 1/20 0.51
NTSR1 P30989 1/20 0.51

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
SCHEMBL9807269 0.94 EPHA2 (0.63) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9807306 0.94 EPHA2 (0.62) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9807252 0.94 EPHA2 (0.62) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9807268 0.89 KDM1A (0.57) EPHA2KDM1ATFPIIL23R
SCHEMBL9551264 0.89 EPHA2 (0.60) EPHA2KDM1ATFPI
SCHEMBL9691456 0.89 EPHA2 (0.61) EPHA2KDM1ATFPI
SCHEMBL9807257 0.88 NTSR1 (0.62) EPHA2NPY1RNTSR2NTSR1
SCHEMBL9807235 0.88 EPHA2 (0.64) EPHA2NMUR2NMUR1NPY1R
SCHEMBL9807265 0.87 EPHA2 (0.61) EPHA2KDM1ANMUR2NMUR1MAOB
SCHEMBL9807253 0.86 EPHA2 (0.58) EPHA2KDM1ANMUR2NMUR1NPY1R

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-0146266-B1 ENZYME-RESISTANT IMMUNOMODULATORY PEPTIDES ORTHO PHARMACEUTICAL CORPORATION (US) 1991-05-22 EP disclosed
EP-0146266-A2 Enzyme-resistant immunomodulatory peptides ORTHO PHARMACEUTICAL CORPORATION (US) 1985-06-26 EP disclosed