SCHEMBL15080458

SCHEMBL15080458

CCC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC)NC(=O)C(Cc1cnc[nH]1)NC(C)=O)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.63
SLC15A2 Q16348 1/20 0.52
ACE2 Q9BYF1 1/20 0.46
SCN9A Q15858 1/20 0.44
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
MC1R Q01726 2/20 0.43
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC7A5 Q01650 1/20 0.43

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
SCHEMBL15080457 0.82 REN (0.54) RENSLC15A2ACE2SCN9AITGB2
SCHEMBL12711228 0.81 REN (0.54) RENSLC15A2SCN9AITGB2ICAM1
SCHEMBL12632551 0.81 REN (0.53) RENSLC15A2ACE2SCN9AITGB2
SCHEMBL12537131 0.80 REN (0.55) RENSLC15A2ACE2SCN9AITGB2
SCHEMBL18402423 0.80 REN (0.60) RENSLC15A2ACE2ERAP2ERAP1
SCHEMBL13563440 0.80 REN (0.75) RENACE2
SCHEMBL12085739 0.79 REN (0.45) RENSLC15A2ACE2SCN9AITGB2
SCHEMBL29429145 0.79 SLC15A2 (0.63) RENSLC15A2MC4R
SCHEMBL29531079 0.79 SLC15A2 (0.63) RENSLC15A2MC4R
SCHEMBL23692651 0.78 REN (0.49) RENSLC15A2ERAP2ERAP1LNPEP

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-8476240-B2 Histidine related compounds for identifying and blocking amyloid beta ion channels THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2013-07-02 US disclosed