SCHEMBL29463744

SCHEMBL29463744

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.60
▸ CAPN1 P07384 2/20 0.59
▸ CTSB P07858 2/20 0.59
▸ CXCR4 P61073 2/20 0.56
▸ NTSR2 O95665 1/20 0.54
▸ NTSR1 P30989 1/20 0.54
▸ SORT1 Q99523 1/20 0.54
▸ RAMP3 O60896 3/20 0.54
▸ CALCR P30988 3/20 0.54
▸ F13A1 P00488 2/20 0.53
▸ TGM2 P21980 2/20 0.53
▸ IL23R Q5VWK5 1/20 0.53
▸ DPP3 Q9NY33 2/20 0.52
▸ C5AR1 P21730 1/20 0.52
▸ CTNNB1 P35222 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
SCHEMBL29463717 0.98 CAPN1 (0.63) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL38652302 0.96 CXCR4 (0.59) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL30735734 0.93 CXCR4 (0.58) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL29435102 0.90 KISS1R (0.58) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL29697189 0.90 KISS1R (0.65) KISS1RCXCR4RAMP3CALCRIL23R
SCHEMBL30565410 0.90 C5AR1 (0.56) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL31005883 0.90 KISS1R (0.57) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL31290071 0.90 CXCR4 (0.61) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL31433347 0.90 KISS1R (0.56) KISS1RCAPN1CTSBCXCR4NTSR2
SCHEMBL30716436 0.88 KISS1R (0.63) KISS1RCXCR4IL23RDPP3C5AR1

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-111206017-B Serum-free culture medium for stem cells and application thereof 浙江大学 2022-02-18 — — CN disclosed
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