SCHEMBL31666091

SCHEMBL31666091

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 13/20 0.61
GCGR P47871 1/20 0.61
GIPR P48546 1/20 0.61
CCKBR P32239 1/20 0.60
ECE1 P42892 1/20 0.58
MUS81 Q96NY9 1/20 0.58
PTH1R Q03431 2/20 0.58
IL23R Q5VWK5 1/20 0.58
BACE1 P56817 1/20 0.58
RXFP1 Q9HBX9 1/20 0.57
NPBWR1 P48145 2/20 0.56

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
SCHEMBL31666092 1.00 GLP1R (0.61) GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31666085 0.96 GLP1R (0.64) GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31666087 0.93 IL23R (0.65) GLP1RGCGRGIPRCCKBRIL23R
SCHEMBL31666086 0.92 IL23R (0.66) GLP1RGCGRGIPRCCKBRIL23R
SCHEMBL31666090 0.91 GLP1R (0.66) GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31387894 0.90 GLP1R (0.65) GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31387893 0.90 GLP1R (0.65) GLP1RGCGRGIPRCCKBRECE1
SCHEMBL30524411 0.90 GLP1R (0.59) GLP1RGCGRGIPRIL23RRXFP1
SCHEMBL31666089 0.90 GLP1R (0.66) GLP1RGCGRGIPRCCKBRECE1
SCHEMBL31666088 0.90 GLP1R (0.66) GLP1RGCGRGIPRCCKBRECE1

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
US-12371691-B2 Nano complex for targeted repairing of neurovascular lesion, and preparation and use thereof SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2025-07-29 US claimed
US-12371691-B2 Nano complex for targeted repairing of neurovascular lesion, and preparation and use thereof SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2025-07-29 US disclosed