SCHEMBL19386915

SCHEMBL19386915

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)OC(=O)c2ccc(-c3ccccc3)cc2O)C(C)O)CCNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.70
▸ RCOR1 Q9UKL0 2/20 0.70
▸ SSTR5 P35346 9/20 0.39
▸ SSTR2 P30874 9/20 0.39
▸ SSTR4 P31391 6/20 0.39
▸ LDHB P07195 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ TERF2IP Q9NYB0 2/20 0.37
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ SSTR3 P32745 1/20 0.37

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
SCHEMBL17882089 0.97 KDM1A (0.72) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19386908 0.90 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17882202 0.90 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19386891 0.87 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17882196 0.87 KDM1A (0.74) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17882227 0.87 KDM1A (0.79) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17882036 0.86 KDM1A (0.72) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17882200 0.84 KDM1A (0.78) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19386890 0.84 KDM1A (0.78) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335212 0.84 KDM1A (0.89) KDM1ARCOR1SSTR5SSTR2SSTR4

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-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 — — US disclosed
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