SCHEMBL30962076

SCHEMBL30962076

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.50
▸ BDKRB2 P30411 2/20 0.46
▸ NRP1 O14786 4/20 0.45
▸ NMUR2 Q9GZQ4 1/20 0.42
▸ NMUR1 Q9HB89 1/20 0.42
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ CAPN1 P07384 2/20 0.40
▸ EPHA2 P29317 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL29629002 0.94 GRB2 (0.50) GRB2NMUR2NMUR1NTSR2NTSR1
SCHEMBL30133583 0.92 GRB2 (0.47) GRB2BDKRB2NRP1NMUR2NMUR1
SCHEMBL24485493 0.91 F2 (0.49) GRB2NRP1NMUR2NMUR1F2
SCHEMBL29906654 0.89 NRP1 (0.50) GRB2BDKRB2NRP1NTSR2NTSR1
SCHEMBL31099289 0.89 NRP1 (0.51) GRB2BDKRB2NRP1NTSR2NTSR1
SCHEMBL24485494 0.88 GRB2 (0.49) GRB2NRP1NMUR2NMUR1F2
SCHEMBL24485294 0.88 GRB2 (0.47) GRB2NMUR2NMUR1NTSR2NTSR1
SCHEMBL24485295 0.88 GRB2 (0.47) GRB2NMUR2NMUR1NTSR2NTSR1
SCHEMBL7759489 0.87 MAPK8 (0.45) GRB2NRP1NMUR2NMUR1F2
SCHEMBL7759499 0.87 MAPK8 (0.45) GRB2NRP1NMUR2NMUR1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3096742-B1 COMPOSITIONS AND METHODS FOR MODIFYING THE SURFACE OF CELLS AND METHODS OF USE UNIV UTAH RES FOUND (US) 2024-06-12 — — EP disclosed
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