SCHEMBL30138994

SCHEMBL30138994

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.43
▸ OPRM1 P35372 4/20 0.40
▸ OPRD1 P41143 4/20 0.40
▸ CALCRL Q16602 2/20 0.38
▸ RAMP1 O60894 1/20 0.38
▸ APLNR P35414 1/20 0.37
▸ ANPEP P15144 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NTSR2 O95665 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP8 Q6V1X1 2/20 0.35
▸ DPP9 Q86TI2 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35

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
SCHEMBL30138997 0.87 ACE (0.42) XIAPDPP4FAPDPP8DPP9
SCHEMBL30139051 0.86 OPRM1 (0.44) XIAPOPRM1OPRD1CALCRLRAMP1
SCHEMBL29416054 0.86 XIAP (0.45) XIAPOPRM1OPRD1CALCRLRAMP1
SCHEMBL38658690 0.84 ACE (0.44) XIAPDPP4FAPDPP8DPP9
SCHEMBL30139026 0.83 OPRM1 (0.46) XIAPOPRM1OPRD1CALCRLRAMP1
SCHEMBL29464995 0.83 XIAP (0.48) XIAPMMP2POLBDPP4FAP
SCHEMBL2863862 0.82 XIAP (0.49) XIAPOPRM1OPRD1CALCRLRAMP1
SCHEMBL2863866 0.82 XIAP (0.49) XIAPOPRM1OPRD1CALCRLRAMP1
SCHEMBL2863793 0.82 XIAP (0.47) XIAPOPRM1OPRD1CALCRLRAMP1
SCHEMBL2863798 0.82 XIAP (0.47) XIAPOPRM1OPRD1CALCRLRAMP1

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
CN-115181173-A Preparation method of Tirzepatide 深圳市健元医药科技有限公司 2022-10-14 — — CN claimed
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