SCHEMBL32689778

SCHEMBL32689778

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.51
▸ CTSB P07858 3/20 0.47
▸ BDKRB2 P30411 4/20 0.42
▸ GRB2 P62993 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ SLC6A2 P23975 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
SCHEMBL32689776 1.00 CAPN1 (0.51) CAPN1CTSBBDKRB2GRB2OPRM1
SCHEMBL32689781 0.87 CAPN1 (0.57) CAPN1CTSBGRB2
SCHEMBL32689777 0.87 CAPN1 (0.57) CAPN1CTSBBDKRB2GRB2OPRM1
SCHEMBL29777643 0.86 CAPN1 (0.54) CAPN1CTSBGRB2OPRM1OPRD1
SCHEMBL29630498 0.83 CAPN1 (0.51) CAPN1CTSBGRB2OPRM1OPRD1
SCHEMBL29679608 0.82 CAPN1 (0.49) CAPN1CTSBGRB2OPRM1OPRD1
SCHEMBL29630574 0.80 CAPN1 (0.49) CAPN1CTSBGRB2SLC6A2
SCHEMBL29592210 0.80 CAPN1 (0.51) CAPN1CTSBSLC6A2
SCHEMBL29630673 0.80 CAPN1 (0.47) CAPN1CTSBGRB2OPRM1OPRD1
SCHEMBL30973966 0.80 CAPN1 (0.46) CAPN1CTSBBDKRB2GRB2OPRM1

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-4039710-B1 ANTI-CD3 ANTIBODIES, ANTI-CD123 ANTIBODIES AND BISPECIFIC ANTIBODIES SPECIFICALLY BINDING TO CD3 AND/OR CD123 SANOFI SA (FR) 2026-03-25 — — EP disclosed
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