SCHEMBL30718965

SCHEMBL30718965

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.44
▸ ERAP1 Q9NZ08 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ NMT2 O60551 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ CPB2 Q96IY4 6/20 0.43
▸ FURIN P09958 2/20 0.43
▸ PRSS1 P07477 1/20 0.41
▸ FOLH1 Q04609 3/20 0.40
▸ OPRK1 P41145 2/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL31031574 0.93 FOLH1 (0.48) ERAP2ERAP1LNPEPNMT2NMT1
SCHEMBL29720138 0.91 NMT2 (0.43) ERAP2ERAP1LNPEPNMT2NMT1
SCHEMBL1711738 0.89 CPB2 (0.47) ERAP2ERAP1LNPEPCPB2FURIN
SCHEMBL1711321 0.89 CPB2 (0.47) ERAP2ERAP1LNPEPCPB2FURIN
SCHEMBL1711732 0.89 CPB2 (0.47) ERAP2ERAP1LNPEPCPB2FURIN
SCHEMBL1711325 0.89 CPB2 (0.47) ERAP2ERAP1LNPEPCPB2FURIN
SCHEMBL31652408 0.88 SLC6A5 (0.46) ERAP2ERAP1LNPEPNMT2NMT1
Hydrochloric Acid SCHEMBL11366046 0.88 CPB2 (0.47) ERAP2ERAP1LNPEPCPB2FURIN
SCHEMBL30537470 0.88 NMT2 (0.47) ERAP2ERAP1LNPEPNMT2NMT1
SCHEMBL11974536 0.87 ALDH1A1 (0.50) ERAP2ERAP1LNPEPNMT2NMT1

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
CN-116948008-A Preparation method of salmon calcitonin 上海苏豪逸明制药有限公司 2023-10-27 — — CN claimed
CN-116948008-A Preparation method of salmon calcitonin 上海苏豪逸明制药有限公司 2023-10-27 — — CN disclosed
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