SCHEMBL29689766

SCHEMBL29689766

CSCCC(NC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)CNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.66
▸ NPY1R P25929 1/20 0.64
▸ NPY2R P49146 1/20 0.64
▸ NPY4R P50391 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ MC4R P32245 2/20 0.63
▸ MC5R P33032 2/20 0.63
▸ MC3R P41968 2/20 0.63
▸ MC1R Q01726 2/20 0.63
▸ GNRHR P30968 2/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ ABCC2 Q92887 1/20 0.60
▸ GRPR P30550 2/20 0.58
▸ CXCL8 P10145 2/20 0.57
▸ GLP1R P43220 2/20 0.57
▸ KISS1R Q969F8 1/20 0.57

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
SCHEMBL29421992 1.00 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29358032 0.94 CXCR4 (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29577889 0.87 NMBR (0.61) GRPRCXCL8GLP1RKISS1R
SCHEMBL29860804 0.86 CXCR4 (0.74) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29430129 0.86 CXCR4 (0.74) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30608432 0.85 CXCL8 (0.55) MC4RMC5RMC3RMC1RCXCL8
SCHEMBL29635486 0.84 CXCR4 (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30816278 0.83 NPY2R (0.65) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31186286 0.83 KISS1R (0.65) CXCR4CXCL8KISS1R
SCHEMBL31694497 0.83 CXCR4 (0.64) CXCR4NPY1RNPY2RNPY4RNPY5R

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-114574340-A Method, device and kit for manufacturing a device 株式会社理光 2022-06-03 — — CN disclosed
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