SCHEMBL9169848

SCHEMBL9169848

CCCCCCCCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
CASP2 P42575 1/20 0.42
NAAA Q02083 1/20 0.40
DNM1 Q05193 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
EPHX1 P07099 3/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL9163657 1.00 FAAH (0.43) FAAHCASP2NAAADNM1L3MBTL1
SCHEMBL2029653 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL1419591 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL1419815 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL1419840 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL1419852 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL1419654 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL9655480 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL1419475 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2
SCHEMBL2029786 0.89 CASP2 (0.51) FAAHCASP2NAAADNM1EPHX2

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
US-5399340-A Organ-specific nuclear magnetic resonance diagnosis SCHERING AKTIENGESELLSCHAFT (DE) 1995-03-21 US disclosed
EP-0413405-A2 Use of amide complex compounds SCHERING AKTIENGESELLSCHAFT (DE) 1991-02-20 EP disclosed