SCHEMBL19445778

SCHEMBL19445778

COc1ccc(NC(=O)[C@H](CCCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@H](CCCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@H](CCCCNC(=N)N)NC(=O)c4cc(NC(=O)[C@@H](N)CCCCNC(=N)N)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@@H](CCc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ MC4R P32245 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPBWR1 P48145 1/20 0.40
▸ ERAP2 Q6P179 6/20 0.40
▸ ERAP1 Q9NZ08 5/20 0.40
▸ LNPEP Q9UIQ6 4/20 0.40
▸ IL1RN P18510 3/20 0.40
▸ CCKBR P32239 2/20 0.39
▸ CXCR4 P61073 1/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ NPY4R P50391 1/20 0.39
▸ IL23R Q5VWK5 1/20 0.39

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
SCHEMBL19486139 0.94 MC4R (0.45) PRKACBMC4RNPBWR1ERAP2ERAP1
SCHEMBL19219797 0.94 MC4R (0.45) PRKACBMC4RNPBWR1ERAP2ERAP1
SCHEMBL12514972 0.93 MC4R (0.46) MAPTMC4RERAP2ERAP1LNPEP
SCHEMBL13973759 0.93 MC4R (0.46) MAPTMC4RERAP2ERAP1LNPEP
SCHEMBL13973857 0.93 MC4R (0.46) MAPTMC4RERAP2ERAP1LNPEP
SCHEMBL13973837 0.93 MC4R (0.46) MAPTMC4RERAP2ERAP1LNPEP
SCHEMBL21371616 0.93 MC4R (0.44) MAPTPRKACBMC4RMEN1KMT2A
SCHEMBL19214489 0.91 MC4R (0.46) MAPTPRKACBMC4RNPBWR1ERAP2
SCHEMBL17949850 0.91 ERAP2 (0.48) MAPTMC4RMEN1KMT2AERAP2
SCHEMBL12514971 0.91 MC4R (0.44) MC4RNPBWR1ERAP2ERAP1LNPEP

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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