SCHEMBL19386924

SCHEMBL19386924

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)OC(=O)c2ccnc(-c3cccc(Cl)c3)c2)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 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.67
▸ RCOR1 Q9UKL0 2/20 0.67
▸ TERF2IP Q9NYB0 5/20 0.37
▸ LDHB P07195 1/20 0.36
▸ SSTR5 P35346 5/20 0.35
▸ SSTR4 P31391 4/20 0.35
▸ SSTR2 P30874 4/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35

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
SCHEMBL17882078 1.00 KDM1A (0.67) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL14240943 0.92 KDM1A (0.69) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL14241078 0.92 KDM1A (0.69) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL19386839 0.90 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL17882070 0.90 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL17882202 0.89 KDM1A (0.74) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL19386908 0.89 KDM1A (0.74) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL19386872 0.88 KDM1A (0.68) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL17882234 0.88 KDM1A (0.68) KDM1ARCOR1TERF2IPLDHBSSTR5
SCHEMBL14240945 0.87 KDM1A (0.74) KDM1ARCOR1TERF2IPLDHBSSTR5

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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