SCHEMBL30643193

SCHEMBL30643193

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.58
▸ OPRD1 P41143 2/20 0.58
▸ OPRK1 P41145 2/20 0.58
▸ KEAP1 Q14145 3/20 0.58
▸ APC P25054 3/20 0.55
▸ TFPI P10646 1/20 0.53
▸ BACE1 P56817 2/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ NPY4R P50391 3/20 0.52
▸ NPY5R Q15761 3/20 0.52
▸ PTPN1 P18031 1/20 0.50

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
SCHEMBL30643194 0.93 BACE1 (0.56) OPRM1OPRD1OPRK1KEAP1BACE1
SCHEMBL30124163 0.87 IL1RN (0.52) OPRM1OPRD1OPRK1APCBACE1
SCHEMBL29822708 0.84 OPRM1 (0.63) OPRM1OPRD1OPRK1KEAP1TFPI
SCHEMBL30262122 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1KEAP1APC
SCHEMBL31284997 0.83 IL1RN (0.55) OPRM1OPRD1BACE1BACE2NPY1R
SCHEMBL31114987 0.83 NPY4R (0.56) OPRM1OPRD1OPRK1TFPINPY1R
SCHEMBL29451124 0.82 OPRM1 (0.61) OPRM1OPRD1OPRK1APCTFPI
SCHEMBL31683365 0.82 BACE1 (0.56) OPRM1OPRD1OPRK1TFPIBACE1
SCHEMBL31538481 0.81 BACE1 (0.57) OPRM1OPRD1OPRK1TFPIBACE1
SCHEMBL29357401 0.81 APC (0.58) OPRM1OPRD1OPRK1KEAP1APC

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
WO-2023212841-A1 A KIND OF POLYPEPTIDE ANALOG WITH HAIR GROWTH EFFECT WENZHOU MEDICAL UNIVERSITY (CN) 2023-11-09 — — WO disclosed
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