SCHEMBL4940044

SCHEMBL4940044

OC1(CNC2CCCC2)CCN(c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
FOXM1 Q08050 1/20 0.50
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
HRH3 Q9Y5N1 4/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ACACB O00763 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
SCHEMBL736957 0.99 KDM4E (0.50) KDM4EKMT2ASMN1; SMN2FOXM1RAB9A
SCHEMBL735913 0.98 KDM4E (0.48) KDM4EKMT2ASMN1; SMN2FOXM1RAB9A
SCHEMBL737638 0.96 RAB9A (0.46) KDM4EKMT2ASMN1; SMN2FOXM1RAB9A
SCHEMBL737726 0.79 MAPT (0.48) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL737545 0.77 MAPT (0.50) KDM4EKMT2ARAB9AHRH3MAPT
SCHEMBL3216213 0.75 KDM1A (0.61) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL7902701 0.75 FOXM1 (0.53) KDM4EKMT2ASMN1; SMN2FOXM1HRH3
SCHEMBL11477736 0.74 FOXM1 (0.65) KDM4EKMT2ASMN1; SMN2FOXM1RAB9A
SCHEMBL737728 0.74 HRH3 (0.41) KDM4EKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL16046663 0.74 LTA4H (0.62) KDM4EKMT2ASMN1; SMN2RAB9ANPC1

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
CN-101228127-A Novel Piperidine Derivatives BANYU PHARMA CO LTD (JP) 2008-07-23 CN disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP disclosed