SCHEMBL29407980

SCHEMBL29407980

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.43
▸ BDKRB2 P30411 7/20 0.43
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36

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
SCHEMBL29541526 0.91 ITGB3 (0.40) CAPN1BDKRB2OPRM1OPRD1F2
SCHEMBL30099571 0.88 NMUR2 (0.43) BDKRB2OPRM1OPRD1
SCHEMBL31146384 0.87 ACE (0.39) BDKRB2OPRM1F2F10
SCHEMBL21581703 0.85 CAPN1 (0.45) CAPN1BDKRB2OPRM1OPRD1F2
SCHEMBL26454162 0.85 CAPN1 (0.45) CAPN1BDKRB2OPRM1OPRD1F2
SCHEMBL29763113 0.84 CAPN1 (0.41) CAPN1OPRM1OPRD1NMT2NMT1
SCHEMBL30620966 0.84 XIAP (0.45) CAPN1OPRM1OPRD1
SCHEMBL31534097 0.81 BDKRB2 (0.41) CAPN1BDKRB2OPRM1OPRD1
SCHEMBL29568037 0.81 CAPN1 (0.42) CAPN1OPRD1
SCHEMBL29565363 0.81 OPRM1 (0.43) BDKRB2OPRM1OPRD1

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
US-20220175962-A1 GENE THERAPY COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE SIO GENE THERAPIES INC (US) 2022-06-09 — — US disclosed
US-11279954-B2 Catecholamine enzyme fusions OXFORD BIOMEDICA (UK) LTD. (GB) 2022-03-22 — — US disclosed
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