SCHEMBL9715437

SCHEMBL9715437

NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)OC(=O)CN(CCN(CC(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)CC(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)CCN(CC(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)CC(=O)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRND Q07001 6/20 0.44
CHRNA1 P02708 2/20 0.44
CHRNG P07510 2/20 0.44
CHRNB1 P11230 2/20 0.44
GRIA1 P42261 5/20 0.43
LNPEP Q9UIQ6 1/20 0.43

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
Pentetic Acid SCHEMBL9440488 0.85 SLC15A2 (0.51) CHRNDCHRNA1CHRNGCHRNB1LNPEP
SCHEMBL30578432 0.83 LNPEP (0.58) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL9318061 0.80 SLC15A2 (0.60) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL9318080 0.80 SLC15A2 (0.60) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL7122854 0.79 SLC15A2 (0.59) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL7122844 0.79 SLC15A2 (0.59) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL29980121 0.78 SLC15A2 (0.54) CHRNDCHRNA1CHRNGCHRNB1LNPEP
SCHEMBL306050 0.76 FOLH1 (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL19211966 0.76 FOLH1 (0.49) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL24122752 0.75 CHRND (0.56) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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-0173629-B1 ANTIBODY-METAL ION COMPLEXES CYTOGEN CORPORATION (US) 1992-06-10 EP disclosed
US-4741900-A Antibody-metal ion complexes CYTOGEN CORPORATION (US) 1988-05-03 US disclosed
EP-0173629-A1 Antibody-metal ion complexes CYTOGEN CORPORATION (US) 1986-03-05 EP disclosed