SCHEMBL31462340

SCHEMBL31462340

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.56
▸ CRHR1 P34998 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ F2 P00734 4/20 0.52
▸ AGTR1 P30556 1/20 0.51
▸ AGTR2 P50052 1/20 0.51
▸ REN P00797 4/20 0.50
▸ C5AR1 P21730 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
SCHEMBL31462347 0.99 CALCR (0.56) CALCRCRHR1CRHR2F2AGTR1
SCHEMBL31462342 0.98 CALCR (0.56) CALCRCRHR1CRHR2F2AGTR1
SCHEMBL31462343 0.97 CALCR (0.59) CALCRCRHR1CRHR2F2AGTR1
SCHEMBL31462341 0.94 C5AR1 (0.58) CALCRCRHR1CRHR2C5AR1
SCHEMBL31462346 0.94 C5AR1 (0.58) CALCRCRHR1CRHR2C5AR1
SCHEMBL30368139 0.88 REN (0.53) F2AGTR1AGTR2REN
SCHEMBL31182512 0.88 CALCR (0.64) CALCRCRHR1CRHR2F2
SCHEMBL30565599 0.88 AGTR1 (0.59) CALCRAGTR1AGTR2REN
SCHEMBL30565596 0.88 AGTR1 (0.59) CALCRAGTR1AGTR2REN
SCHEMBL29373861 0.88 OPRD1 (0.62) F2AGTR1AGTR2

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-119462849-A Polypeptide and application thereof in neurodegenerative diseases 天津智泰生物医药科技有限公司 2025-02-18 — — CN disclosed
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