SCHEMBL19486139

SCHEMBL19486139

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.45
▸ CCKBR P32239 2/20 0.43
▸ PRKACB P22694 1/20 0.43
▸ ERAP2 Q6P179 5/20 0.43
▸ ERAP1 Q9NZ08 5/20 0.43
▸ LNPEP Q9UIQ6 4/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ IL1RN P18510 2/20 0.43
▸ NPBWR1 P48145 1/20 0.42

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
SCHEMBL19219797 1.00 MC4R (0.45) MC4RCCKBRPRKACBERAP2ERAP1
SCHEMBL13973857 0.99 MC4R (0.46) MC4RERAP2ERAP1LNPEPNPY1R
SCHEMBL13973837 0.99 MC4R (0.46) MC4RERAP2ERAP1LNPEPNPY1R
SCHEMBL12514972 0.99 MC4R (0.46) MC4RERAP2ERAP1LNPEPNPY1R
SCHEMBL13973759 0.99 MC4R (0.46) MC4RERAP2ERAP1LNPEPNPY1R
SCHEMBL19214489 0.96 MC4R (0.46) MC4RCCKBRPRKACBERAP2ERAP1
SCHEMBL12514971 0.96 MC4R (0.44) MC4RERAP2ERAP1LNPEPIL1RN
SCHEMBL19219795 0.95 MC4R (0.44) MC4RCCKBRPRKACBERAP2ERAP1
SCHEMBL17949850 0.95 ERAP2 (0.48) MC4RERAP2ERAP1LNPEPIL1RN
SCHEMBL19445778 0.94 MAPT (0.41) MC4RCCKBRPRKACBERAP2ERAP1

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
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
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