SCHEMBL30966641

SCHEMBL30966641

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TFPI P10646 1/20 0.49
NPY4R P50391 10/20 0.49
NPY1R P25929 7/20 0.49
NPY5R Q15761 6/20 0.49
NPY2R P49146 4/20 0.49
KEAP1 Q14145 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
EGFR P00533 1/20 0.46
CXCR4 P61073 1/20 0.45
NPBWR1 P48145 1/20 0.45

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
SCHEMBL29809691 0.92 NPY4R (0.51) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL31159590 0.92 TFPI (0.52) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29546204 0.92 NPY4R (0.52) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29545125 0.92 NPY4R (0.52) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL10872838 0.91 TFPI (0.45) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL10872857 0.91 TFPI (0.45) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL30140825 0.91 TFPI (0.52) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL30186399 0.91 OPRL1 (0.44) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL31693537 0.90 NPY4R (0.50) TFPINPY4RNPY1RNPY5RNPY2R
SCHEMBL29973030 0.90 EGFR (0.51) TFPINPY4RNPY1RNPY5RNPY2R

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-118272410-A Preparation method of spy catcher mutant and application of spy catcher mutant in fluorescent protein model system 江苏贝奥泰克生物科技有限公司 2024-07-02 CN disclosed