SCHEMBL4786930

SCHEMBL4786930

CC(C)(C)OC(=O)N1CCN(c2nc(NC(=O)C(C)(C)C)nc3c2oc2cc(Cl)ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.41
KIT P10721 2/20 0.40
KDM1A O60341 1/20 0.40
STS P08842 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DPP4 P27487 1/20 0.38
TLR9 Q9NR96 3/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 1/20 0.38

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
SCHEMBL4785141 0.78 HRH4 (0.67) HRH4
SCHEMBL4738366 0.77 HRH4 (0.44) HRH4
SCHEMBL4799291 0.75 HRH4 (0.63) HRH4
SCHEMBL4735673 0.72 HRH4 (0.42) HRH4KITUSP2MAPTTSHR
SCHEMBL5637765 0.68 IDE (0.49) STSMAPTMEN1KMT2AHTT
SCHEMBL17844999 0.68 KIT (0.49) KITSTSCNR1CNR2DPP4
SCHEMBL3101638 0.68 PTGES (0.56) CNR2
SCHEMBL4808243 0.67 HRH4 (0.62) HRH4
SCHEMBL25388799 0.67 GBA1 (0.47) KITSTSCNR1CNR2DPP4
SCHEMBL3078363 0.67 PTGES (0.52) CNR2MEN1KMT2AHTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008074445-A1 NOVEL TRICYCLIC AND HETEROTRICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-26 WO disclosed