SCHEMBL28833501

SCHEMBL28833501

NC(CCNC(=O)CC1CCCN1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.38
ACE P12821 1/20 0.34
FDPS P14324 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2A P29274 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1768358 1.00 OTC (0.38) OTCACEFDPSMAPK11MAPK14
SCHEMBL2236439 0.96 FDPS (0.39) OTCACEFDPSALOX15KMT2A
SCHEMBL28095715 0.96 FDPS (0.39) OTCACEFDPSALOX15KMT2A
SCHEMBL2235726 0.92 OTC (0.48) OTCFDPSMAPK11MAPK14TDP1
SCHEMBL28102738 0.92 OTC (0.48) OTCFDPSMAPK11MAPK14TDP1
SCHEMBL28102652 0.88 OTC (0.47) OTCFDPSMAPK11MAPK14ALOX15
SCHEMBL2240203 0.88 OTC (0.47) OTCFDPSMAPK11MAPK14ALOX15
SCHEMBL1768816 0.86 GFPT1 (0.37) FDPSALOX15KMT2AADORA2AMEN1
SCHEMBL28095367 0.86 GFPT1 (0.37) FDPSALOX15KMT2AADORA2AMEN1
SCHEMBL1768781 0.82 FDPS (0.41) FDPSALOX15KMT2AMEN1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed