SCHEMBL30445980

SCHEMBL30445980

O=C(O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.41
▸ REN P00797 2/20 0.41
▸ TRHR P34981 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL30395175 0.95 REN (0.39) CAPN1RENTRHRMEN1KMT2A
SCHEMBL30452849 0.91 ACE (0.43) RENTRHR
SCHEMBL29765176 0.89 CAPN1 (0.47) CAPN1RENCTSB
SCHEMBL29765249 0.89 CAPN1 (0.47) CAPN1RENCTSB
SCHEMBL29765105 0.89 CAPN1 (0.47) CAPN1RENCTSB
SCHEMBL29765170 0.89 CAPN1 (0.47) CAPN1RENCTSB
SCHEMBL29765258 0.89 CAPN1 (0.47) CAPN1RENCTSB
SCHEMBL32681290 0.89 OPRM1 (0.48) RENOPRM1
SCHEMBL29397117 0.88 DPP4 (0.46) CAPN1MEN1KMT2ACTSBDPP7
SCHEMBL29765228 0.87 CAPN1 (0.44) CAPN1RENTRHRCTSB

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-20230302123-A1 REPLICATION-DEFICIENT ADENOVIRUS LEIBNIZ-INSTITUT FÜR VIROLOGIE (DE) 2023-09-28 — — US disclosed
EP-4188939-A1 REPLICATION-DEFICIENT ADENOVIRUS Leibniz-Institut für Virologie (DE) 2023-06-07 — — EP disclosed
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