SCHEMBL6208526

SCHEMBL6208526

COCC(C)NC(=O)OSc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACACB O00763 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HCAR3 P49019 1/20 0.37
POLB P06746 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL6210380 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL6211802 0.75 IDO1 (0.44) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL27699463 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL6208983 0.71 HTT (0.53) HPGDNAMPTKMT2AHTTLMNA
SCHEMBL28198363 0.71 ALDH1A1 (0.46) ALDH1A1NAMPTKMT2AKDM4EHTT
SCHEMBL8585870 0.68 HPGD (0.45) HPGDALDH1A1NAMPTMEN1KMT2A
SCHEMBL19983126 0.67 SMN1; SMN2 (0.51) HPGDALDH1A1KMT2AHTTRAB9A
SCHEMBL13041722 0.67
SCHEMBL8587889 0.67 HPGD (0.50) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL10014700 0.67 ALDH1A1 (0.51) HPGDALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed