SCHEMBL8937041

SCHEMBL8937041

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 3/20 0.45
▸ NMUR2 Q9GZQ4 2/20 0.42
▸ NMUR1 Q9HB89 2/20 0.42
▸ GRB2 P62993 1/20 0.41
▸ NPY2R P49146 7/20 0.41
▸ NPY4R P50391 7/20 0.41
▸ NPY5R Q15761 7/20 0.41
▸ NPY1R P25929 5/20 0.41
▸ XIAP P98170 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ C5AR1 P21730 1/20 0.40
▸ RAMP3 O60896 1/20 0.40
▸ CALCR P30988 1/20 0.40

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
SCHEMBL8937029 1.00 EPHA2 (0.45) EPHA2NMUR2NMUR1GRB2NPY2R
SCHEMBL30523349 0.89 EPHA2 (0.42) EPHA2NMUR2NMUR1GRB2NPY2R
SCHEMBL30367979 0.87 EPHA2 (0.42) EPHA2NMUR2NMUR1NPY2RNPY4R
SCHEMBL31487371 0.86 GRB2 (0.53) EPHA2NMUR2NMUR1GRB2NPY1R
SCHEMBL10336152 0.86 KDM1A (0.45) EPHA2NMUR2NMUR1
SCHEMBL10336157 0.86 KDM1A (0.45) EPHA2NMUR2NMUR1
SCHEMBL8936994 0.85 KDM1A (0.44) EPHA2NMUR2NMUR1
SCHEMBL8936988 0.85 KDM1A (0.44) EPHA2NMUR2NMUR1
SCHEMBL30988896 0.84 EPHA2 (0.48) EPHA2XIAPRAMP3CALCR
SCHEMBL30198799 0.84 GRB2 (0.48) EPHA2NMUR2NMUR1GRB2XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673384-A4 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS. UNIV MINNESOTA (US) 1996-10-09 — — EP claimed
EP-0673384-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-09-27 — — EP claimed
WO-1994013692-A1 POLYPEPTIDES USEFUL FOR TREATING INFLAMMATORY DISORDERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-06-23 — — WO claimed
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