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SCHEMBL19445738

SCHEMBL19445738

COc1ccc(NC(=O)[C@@H](CCCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(C)=O)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.48
▸ CCKBR P32239 3/20 0.44
▸ PRKACB P22694 1/20 0.44
▸ IL23R Q5VWK5 6/20 0.44
▸ NPBWR1 P48145 1/20 0.43

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
SCHEMBL12515468 0.99 MC4R (0.49) MC4RCCKBRPRKACBIL23R
SCHEMBL12515484 0.99 MC4R (0.49) MC4RCCKBRPRKACBIL23R
SCHEMBL12515480 0.99 MC4R (0.49) MC4RCCKBRPRKACBIL23R
SCHEMBL12514979 0.99 MC4R (0.49) MC4RCCKBRPRKACBIL23R
SCHEMBL12518641 0.97 MC4R (0.48) MC4RCCKBRPRKACBIL23R
SCHEMBL12518642 0.97 MC4R (0.48) MC4RCCKBRPRKACBIL23R
SCHEMBL12514982 0.96 MC4R (0.47) MC4RIL23RNPBWR1
SCHEMBL13978375 0.96 MC4R (0.47) MC4RIL23RNPBWR1
SCHEMBL12515001 0.96 MC4R (0.47) MC4RIL23RNPBWR1
SCHEMBL12518602 0.95 SMN1; SMN2 (0.47) MC4R

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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