SCHEMBL31399727

SCHEMBL31399727

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C)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 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.53
▸ IL23R Q5VWK5 2/20 0.52
▸ GLP1R P43220 8/20 0.51
▸ NPBWR1 P48145 2/20 0.51
▸ GCGR P47871 1/20 0.50
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49
▸ TUBA3E Q6PEY2 1/20 0.49
▸ TUBA1A Q71U36 1/20 0.49
▸ TUBA1C Q9BQE3 1/20 0.49
▸ TUBB6 Q9BUF5 1/20 0.49
▸ TUBB2B Q9BVA1 1/20 0.49
▸ TUBB1 Q9H4B7 1/20 0.49

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
SCHEMBL31399734 0.98 IL23R (0.51) CXCR4IL23RGLP1RNPBWR1GCGR
SCHEMBL31399744 0.97 IL23R (0.51) CXCR4IL23RGLP1RNPBWR1GCGR
SCHEMBL31454223 0.93 C5AR1 (0.54) CXCR4GLP1RNPBWR1GCGRTUBB4A
SCHEMBL29883587 0.91 IL23R (0.61) IL23RGLP1RNPBWR1GCGRTUBB4A
SCHEMBL29965711 0.90 CXCR4 (0.56) CXCR4IL23RGLP1RGCGRTUBB4A
SCHEMBL30550555 0.89 TUBB4A (0.55) NPBWR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31454225 0.89 GLP1R (0.56) GLP1RGCGR
SCHEMBL30577977 0.89 GLP1R (0.56) CXCR4GLP1R
SCHEMBL31473233 0.89 NPBWR1 (0.53) CXCR4GLP1RNPBWR1GCGRTUBB4A
SCHEMBL31473234 0.89 NPBWR1 (0.53) CXCR4GLP1RNPBWR1GCGRTUBB4A

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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