SCHEMBL6208639

SCHEMBL6208639

COc1ccc[c]c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
BCHE P06276 1/20 0.47
GAA P10253 3/20 0.46
MGAM O43451 2/20 0.46
SI P14410 2/20 0.46
MGAM2 Q2M2H8 2/20 0.46
PRMT5 O14744 1/20 0.46
GSTP1 P09211 1/20 0.46
MAOB P27338 5/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 2/20 0.44
MAOA P21397 2/20 0.44

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
SCHEMBL6188780 0.80 CA12 (0.41) L3MBTL1LMNACYP1A2CYP2C19MAPT
SCHEMBL1274782 0.80 CA1 (0.46) L3MBTL1GAALMNAPTGS1RAB9A
SCHEMBL3767201 0.76 HTR1A (0.49) L3MBTL1BCHEMAOBMAPTABCB1
SCHEMBL8089555 0.76 NPC1 (0.38) GAAPTGS2MAPTRAB9ASMN1; SMN2
SCHEMBL8319350 0.76 GSTP1 (0.47) L3MBTL1BCHEGAAMGAMSI
SCHEMBL28304254 0.74 GSTP1 (0.55) L3MBTL1BCHEGAAGSTP1MAOB
SCHEMBL8089505 0.74 CA12 (0.38) LMNAMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL7454339 0.74 CA12 (0.38) GAALMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL8081799 0.74 GABRA1 (0.39) MAOBLMNAPTGS2
SCHEMBL215577 0.74 ADORA3 (0.43) L3MBTL1LMNACYP1A2CYP2C19MAPT

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