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SCHEMBL29389698

SCHEMBL29389698

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 2/20 0.56
▸ CXCR4 P61073 5/20 0.55
▸ OPRL1 P41146 2/20 0.55
▸ TFPI P10646 4/20 0.55
▸ C5AR1 P21730 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ NPY5R Q15761 1/20 0.52

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
SCHEMBL29392765 0.96 EPHA2 (0.57) EPHA2CXCR4OPRL1TFPIC5AR1
SCHEMBL29392901 0.96 EPHA2 (0.57) EPHA2CXCR4OPRL1TFPIC5AR1
SCHEMBL29390108 0.93 EPHA2 (0.62) EPHA2CXCR4TFPIC5AR1NPY1R
SCHEMBL30415150 0.93 EPHA2 (0.62) EPHA2CXCR4TFPIC5AR1NPY1R
SCHEMBL30186412 0.91 EPHA2 (0.65) EPHA2TFPIC5AR1NPY1RNPY2R
SCHEMBL30415361 0.90 EPHA2 (0.65) EPHA2CXCR4TFPIC5AR1NPY1R
Rusalatide SCHEMBL29392126 0.90 EPHA2 (0.62) EPHA2CXCR4TFPINPY1RNPY2R
SCHEMBL31730324 0.90 CXCR4 (0.60) EPHA2CXCR4TFPINPY1RNPY2R
Rusalatide SCHEMBL29357268 0.89 TFPI (0.62) EPHA2CXCR4TFPINPY1RNPY2R
SCHEMBL29392539 0.89 CALCRL (0.56) EPHA2

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
EP-3952991-A1 RUSALATIDE ACETATE COMPOSITIONS Affirmed Pharma, LLC (US) 2022-02-16 — — EP disclosed
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