SCHEMBL30690385

SCHEMBL30690385

CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.61
▸ OPRD1 P41143 3/20 0.61
▸ GLP1R P43220 11/20 0.61
▸ ECE1 P42892 1/20 0.60
▸ MUS81 Q96NY9 1/20 0.60
▸ NPBWR1 P48145 5/20 0.59
▸ KISS1R Q969F8 1/20 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
SCHEMBL29443914 0.98 GLP1R (0.61) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL30690390 0.97 GLP1R (0.61) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL29443911 0.97 GLP1R (0.62) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL30690322 0.96 OPRM1 (0.63) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL30690338 0.95 GLP1R (0.62) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL30690352 0.95 GLP1R (0.62) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL29443919 0.94 OPRM1 (0.63) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL30690379 0.93 OPRD1 (0.60) OPRM1OPRD1GLP1RECE1MUS81
SCHEMBL30690358 0.92 GLP1R (0.66) OPRD1GLP1RECE1MUS81
SCHEMBL30690372 0.92 GLP1R (0.66) OPRD1GLP1RECE1MUS81

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-110041432-B chimeric antigen receptor 细胞基因公司 2023-12-05 — — CN disclosed
Send feedback