SCHEMBL7698322

SCHEMBL7698322

NC1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.58
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAOA P21397 1/20 0.45
LTA4H P09960 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 2/20 0.44
SCN3A Q9NY46 1/20 0.44
MMP3 P08254 1/20 0.43
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SPHK1 Q9NYA1 1/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL19322267 0.90 KDM1A (0.57) KDM1ASLC6A2SLC6A4SLC6A3MAOA
SCHEMBL3970721 0.90 KDM1A (0.57) KDM1ASLC6A2SLC6A4SLC6A3MAOA
Formamide SCHEMBL28213144 0.84 KDM1A (0.51) KDM1ASLC6A2SLC6A4SLC6A3MAOA
SCHEMBL8710331 0.82 KDM1A (0.53) KDM1ASLC6A2SLC6A4SLC6A3LTA4H
SCHEMBL26154062 0.82 KDM1A (0.53) KDM1ASLC6A2SLC6A4SLC6A3MAOA
SCHEMBL51322 0.82 SLC18A3 (0.54) KDM1ASLC6A2SLC6A3MAOAKCNH2
SCHEMBL430336 0.82 SLC18A3 (0.54) KDM1ASLC6A2SLC6A3MAOAKCNH2
SCHEMBL22136958 0.82 SLC18A3 (0.54) KDM1ASLC6A2SLC6A3MAOAKCNH2
SCHEMBL430023 0.82 SLC18A3 (0.54) KDM1ASLC6A2SLC6A3MAOAKCNH2
SCHEMBL24161870 0.81 ESR2 (0.53) KDM1ASLC6A2SLC6A4SLC6A3MAOA

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
EP-1216285-A1 FLUORESCENT MALEIMIDES AND USES THEREOF Ciba SC Holding AG (CH) 2002-06-26 EP disclosed
WO-2001019939-A1 FLUORESCENT MALEIMIDES AND USES THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-22 WO disclosed