SCHEMBL30139003

SCHEMBL30139003

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.43
▸ OPRM1 P35372 2/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ REN P00797 3/20 0.41
▸ ACE P12821 6/20 0.41
▸ BDKRB2 P30411 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PEPD P12955 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL30626178 1.00 CAPN1 (0.43) CAPN1OPRM1OPRD1RENACE
SCHEMBL30139005 0.96 REN (0.44) OPRM1OPRD1RENACEKDM4E
SCHEMBL30138988 0.93 REN (0.45) CAPN1RENACEKDM4EF2
SCHEMBL30139048 0.93 REN (0.45) CAPN1RENACEKDM4EF2
SCHEMBL30626180 0.91 OPRM1 (0.51) CAPN1OPRM1OPRD1BDKRB2CTSB
SCHEMBL29397180 0.91 OPRM1 (0.51) CAPN1OPRM1OPRD1BDKRB2CTSB
SCHEMBL31752434 0.91 CAPN1 (0.48) CAPN1OPRM1OPRD1BDKRB2CTSB
SCHEMBL29760883 0.89 CAPN1 (0.55) CAPN1OPRM1OPRD1BDKRB2CTSB
SCHEMBL30139064 0.89 REN (0.48) RENACEKDM4EF2LMNA
SCHEMBL16468892 0.88 CAPN1 (0.40) CAPN1OPRM1OPRD1BDKRB2CTSB

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-116162146-B GIP-GLP-1 double-agonist compound 成都奥达生物科技有限公司 2023-10-24 — — CN claimed
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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