SCHEMBL30445587

SCHEMBL30445587

C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.47
▸ NMT2 O60551 4/20 0.47
▸ TERT O14746 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ OPRL1 P41146 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ FURIN P09958 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
SCHEMBL29599848 0.90 NMT1 (0.48) NMT1NMT2OPRL1TLR2
SCHEMBL30445612 0.88 NMT1 (0.49) NMT1NMT2TERTSLC6A5GSR
SCHEMBL30828464 0.87 FOLH1 (0.48) NMT1NMT2TERTSLC6A5GSR
SCHEMBL3896673 0.87 GNAI3 (0.42) NMT1NMT2TERTOPRL1GSR
SCHEMBL5697801 0.87 GNAI3 (0.42) NMT1NMT2TERTOPRL1GSR
SCHEMBL30572897 0.86 OPRL1 (0.44) NMT1NMT2OPRL1OPRD1OPRM1
SCHEMBL31668833 0.86 FURIN (0.43) NMT1NMT2OPRL1OPRD1OPRM1
SCHEMBL29895299 0.85 NMT1 (0.49) NMT1NMT2TERTSLC6A5GSR
SCHEMBL30830406 0.85 NMT2 (0.44) NMT1NMT2SLC6A5SIRT6SIRT1
SCHEMBL31433376 0.85 FOLH1 (0.46) NMT1NMT2TERTSLC6A5GSR

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
Send feedback