SCHEMBL17025155

SCHEMBL17025155

C[C@@H](C(=O)O)N(c1ccccn1)C(CCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
OPRM1 P35372 4/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTPRA P18433 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5109203 0.74 POLB (0.42) POLBOPRM1ALDH1A1TSHRGAA
SCHEMBL5109201 0.74 POLB (0.42) POLBOPRM1ALDH1A1TSHRGAA
SCHEMBL28679009 0.74 POLB (0.44) POLBOPRM1ALDH1A1TSHRGAA
SCHEMBL4953717 0.74 POLB (0.44) POLBOPRM1ALDH1A1TSHRGAA
SCHEMBL4953723 0.74 POLB (0.44) POLBOPRM1ALDH1A1TSHRGAA
SCHEMBL2475256 0.73 CTSK (0.39) POLBTSHRPPARGPPARAPTPRA
SCHEMBL2475253 0.73 CTSK (0.39) POLBTSHRPPARGPPARAPTPRA
SCHEMBL7018249 0.72 ALDH1A1 (0.43) POLBOPRM1ALDH1A1KDM4ETSHR
SCHEMBL7018248 0.72 ALDH1A1 (0.43) POLBOPRM1ALDH1A1KDM4ETSHR
SCHEMBL4302480 0.72 POLB (0.43) POLBOPRM1ALDH1A1TSHRGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220647-A1 PROTEINS FOR TARGETING NEURONAL NITRIC OXIDE SYNTHASE TO MUSCLE SARCOLEMMA AND RELATED METHODS OF USE UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2016-08-04 US disclosed
US-9243037-B2 Gramicidin a mutants that function as antibiotics with improved solubility and reduced toxicity TRUSTEES OF BOSTON COLLEGE (US) 2016-01-26 US disclosed
US-20150239936-A1 GRAMICIDIN A MUTANTS THAT FUNCTION AS ANTIBIOTICS WITH IMPROVED SOLUBILITY AND REDUCED TOXICITY TRUSTEES OF BOSTON COLLEGE 2015-08-27 US disclosed