SCHEMBL31756855

SCHEMBL31756855

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 10/20 0.66
▸ NTSR2 O95665 4/20 0.66
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ SORT1 Q99523 1/20 0.58
▸ OPRK1 P41145 1/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ NPBWR1 P48145 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
SCHEMBL29376999 0.88 F2RL1 (0.58) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29671012 0.87 NTSR1 (0.54) NTSR1NTSR2NPY1RNPY2RNPY4R
Laminin SCHEMBL29354054 0.87 NTSR1 (0.56) NTSR1NTSR2NPY1RNPY2RNPY4R
Laminin SCHEMBL29359946 0.87 NTSR1 (0.56) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30536835 0.87 NPY4R (0.80) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29474946 0.86 NPY1R (0.61) NTSR1NTSR2NPY1RNPY2RNPY4R
Dynorphin SCHEMBL31009050 0.85 OPRD1 (0.67) NPY1RNPY2RNPY4ROPRK1OPRD1
Dynorphin SCHEMBL30415373 0.85 OPRD1 (0.67) NPY1RNPY2RNPY4ROPRK1OPRD1
Dynorphin SCHEMBL30914084 0.85 OPRD1 (0.67) NPY1RNPY2RNPY4ROPRK1OPRD1
Dynorphin SCHEMBL29598868 0.85 OPRD1 (0.67) NPY1RNPY2RNPY4ROPRK1OPRD1

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-121243345-A EGFR-TKI drug resistance inhibitor and application thereof 北京大学第一医院(北京大学第一临床医学院) 2026-01-02 — — CN disclosed
Send feedback