SCHEMBL30692441

SCHEMBL30692441

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 14/20 0.69
▸ GCGR P47871 9/20 0.69
▸ CCKBR P32239 2/20 0.69
▸ GIPR P48546 6/20 0.66
▸ NPY1R P25929 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ NPY5R Q15761 1/20 0.66
▸ CALCR P30988 4/20 0.66

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
SCHEMBL30530323 1.00 GLP1R (0.69) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL29416107 0.99 GLP1R (0.69) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL29706316 0.94 GLP1R (0.71) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL30721629 0.94 GLP1R (0.70) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL30721635 0.94 GLP1R (0.70) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL30721577 0.93 NPY1R (0.71) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL30721578 0.93 NPY1R (0.71) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL29706342 0.93 GLP1R (0.71) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL30721620 0.93 NPY1R (0.72) GLP1RGCGRCCKBRGIPRNPY1R
SCHEMBL30721563 0.93 NPY1R (0.73) GLP1RGCGRCCKBRGIPRNPY1R

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-110381984-B Compositions and methods for improving sexual function 尼莫克斯股份有限公司 2023-11-28 — — CN disclosed
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