SCHEMBL9807269

SCHEMBL9807269

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)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.63
▸ NPY1R P25929 1/20 0.55
▸ KDM1A O60341 2/20 0.55
▸ NTSR1 P30989 4/20 0.55
▸ NTSR2 O95665 2/20 0.55
▸ AGTR2 P50052 2/20 0.54
▸ AGTR1 P30556 1/20 0.54
▸ SLC6A2 P23975 1/20 0.53
▸ TFPI P10646 6/20 0.53
▸ SORT1 Q99523 1/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.52
▸ NMUR1 Q9HB89 1/20 0.52

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
SCHEMBL9807252 0.96 EPHA2 (0.62) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9807306 0.96 EPHA2 (0.62) EPHA2KDM1ATFPINMUR2NMUR1
SCHEMBL9691456 0.95 EPHA2 (0.61) EPHA2KDM1AAGTR2AGTR1TFPI
SCHEMBL9807257 0.94 NTSR1 (0.62) EPHA2NPY1RNTSR1NTSR2AGTR2
SCHEMBL9807262 0.94 EPHA2 (0.61) EPHA2NPY1RKDM1ANTSR1NTSR2
SCHEMBL9807265 0.93 EPHA2 (0.61) EPHA2NPY1RKDM1ANTSR1NTSR2
SCHEMBL9807253 0.93 EPHA2 (0.58) EPHA2NPY1RKDM1ANTSR1NTSR2
SCHEMBL9807235 0.93 EPHA2 (0.64) EPHA2NPY1RSLC6A2NMUR2NMUR1
SCHEMBL9807245 0.92 EPHA2 (0.61) EPHA2NTSR1NTSR2AGTR2AGTR1
SCHEMBL9807268 0.92 KDM1A (0.57) EPHA2KDM1ATFPI

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
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