SCHEMBL31399757

SCHEMBL31399757

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.58
▸ IL23R Q5VWK5 4/20 0.56
▸ NPBWR1 P48145 1/20 0.55
▸ ECE1 P42892 3/20 0.55
▸ ERAP2 Q6P179 1/20 0.54
▸ KISS1R Q969F8 3/20 0.54
▸ ACE P12821 1/20 0.51

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
SCHEMBL29699418 0.92 IL23R (0.58) GHSRIL23RNPBWR1ECE1KISS1R
SCHEMBL31433263 0.91 NPBWR1 (0.65) IL23RNPBWR1
SCHEMBL30092942 0.90 NPBWR1 (0.57) GHSRNPBWR1ERAP2KISS1R
SCHEMBL30402141 0.90 NPBWR1 (0.58) GHSRNPBWR1ERAP2KISS1R
SCHEMBL30093092 0.90 NPBWR1 (0.65) GHSRIL23RNPBWR1ERAP2KISS1R
SCHEMBL30093020 0.89 NPBWR1 (0.56) GHSRNPBWR1ERAP2KISS1R
SCHEMBL29794156 0.89 ERAP2 (0.55) GHSRNPBWR1ECE1ERAP2KISS1R
SCHEMBL31433230 0.89 NPBWR1 (0.69) IL23RNPBWR1
SCHEMBL31433306 0.89 NPBWR1 (0.69) IL23RNPBWR1
SCHEMBL30505871 0.89 NPBWR1 (0.58) GHSRIL23RNPBWR1KISS1R

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-119771358-A Magnetic composite adsorbent for blood perfusion and preparation method and application thereof 重庆希尔康血液净化器材研发有限公司 2025-04-08 — — CN disclosed
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