SCHEMBL8809936

SCHEMBL8809936

O=C(Nc1ccccc1)c1ccc(CNC2CCCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.68
HRH3 Q9Y5N1 1/20 0.53
CXCR4 P61073 1/20 0.52
CTNNB1 P35222 2/20 0.52
TCF7L2 Q9NQB0 2/20 0.52
RAB9A P51151 2/20 0.51
EPHX1 P07099 1/20 0.51
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
PTPN1 P18031 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8806829 0.87 HDAC1 (0.65) HDAC1CTNNB1TCF7L2RAB9AEPHX1
SCHEMBL8807024 0.83 HDAC1 (0.67) HDAC1HRH3CXCR4RAB9AEPHX1
SCHEMBL8808276 0.81 HDAC1 (0.61) HDAC1RAB9ASMN1; SMN2MEN1NPC1
SCHEMBL21089268 0.81 HDAC1 (0.72) HDAC1HRH3CXCR4RAB9AEPHX1
SCHEMBL860876 0.81 TRPV1 (0.74) HDAC1RAB9ASMN1; SMN2TRPV1NPC1
SCHEMBL28927984 0.80 RAB9A (0.64) RAB9AEPHX1EPHX2SMN1; SMN2PTPN1
SCHEMBL8810038 0.80 HDAC1 (0.66) HDAC1HRH3CXCR4SMN1; SMN2MEN1
SCHEMBL28942861 0.79 HDAC1 (0.58) HDAC1HRH3CXCR4CTNNB1TCF7L2
SCHEMBL3440164 0.79 HDAC1 (0.73) HDAC1HRH3CXCR4RAB9AEPHX2
SCHEMBL8810375 0.78 HDAC1 (0.57) HDAC1HRH3CXCR4MAOB

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed