SCHEMBL30343340

SCHEMBL30343340

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.60
▸ NTSR2 O95665 3/20 0.57
▸ NTSR1 P30989 3/20 0.57
▸ SORT1 Q99523 3/20 0.57
▸ CXCR4 P61073 7/20 0.57
▸ CTNNB1 P35222 2/20 0.53
▸ F13A1 P00488 1/20 0.52
▸ TGM2 P21980 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ MC4R P32245 1/20 0.50
▸ MC5R P33032 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ MC1R Q01726 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
SCHEMBL31208374 0.98 C5AR1 (0.58) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL30343341 0.92 DPP3 (0.55) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL31593371 0.90 CXCR4 (0.60) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29443798 0.90 CXCR4 (0.60) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL30565410 0.90 C5AR1 (0.56) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29913297 0.89 NTSR2 (0.65) C5AR1NTSR2NTSR1SORT1F13A1
SCHEMBL30797971 0.88 KISS1R (0.55) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29412263 0.88 CXCR4 (0.61) C5AR1NTSR2NTSR1SORT1CXCR4
SCHEMBL29800257 0.88 GHSR (0.52) IL23RKEAP1
SCHEMBL30216754 0.88 NTSR2 (0.62) C5AR1NTSR2NTSR1SORT1CXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116120397-A Human cervical cancer cell specific membrane penetrating peptide and application thereof 南阳师范学院 2023-05-16 — — CN disclosed
CN-116120397-A Human cervical cancer cell specific membrane penetrating peptide and application thereof 南阳师范学院 2023-05-16 — — CN disclosed
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