SCHEMBL1443685

SCHEMBL1443685

C[C@H](N)CNC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ANPEP P15144 2/20 0.53
ERAP2 Q6P179 2/20 0.53
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
EPHX1 P07099 1/20 0.40
MCHR1 Q99705 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL1274004 1.00 KDM4E (0.56) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL19215547 0.93
SCHEMBL22229848 0.88
SCHEMBL22361086 0.88
SCHEMBL3254068 0.88
SCHEMBL10462730 0.86 KDM4E (0.47) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL1043149 0.83 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775092 0.83 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL7775213 0.83 KDM4E (0.62) KDM4EANPEPERAP2HTTSMN1; SMN2
SCHEMBL28834983 0.83 KDM4E (0.52) KDM4EANPEPERAP2HTTSMN1; SMN2

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-2475673-A1 CYCLOBUTAN-1,1 -DICARBOXYLATO COMPLEXES OF PLATINUM WITH N6-BENZYLADENINE DERIVATIVES, METHOD OF THEIR PREPARATION AND APPLICATION OF THESE COMPLEXES AS DRUGS IN ANTITUMOUR THERAPY Univerzita Palackeho (CZ) 2012-07-18 EP disclosed
WO-2011029415-A1 CYCLOBUTAN-1,1 -DICARBOXYLATO COMPLEXES OF PLATINUM WITH N6-BENZYLADENINE DERIVATIVES, METHOD OF THEIR PREPARATION AND APPLICATION OF THESE COMPLEXES AS DRUGS IN ANTITUMOUR THERAPY UNIVERZITA PALACKEHO (CZ) 2011-03-17 WO disclosed