SCHEMBL4735673

SCHEMBL4735673

CCOc1ccc2oc3c(N4CCN(C(=O)O)CC4)nc(NC(=O)C(C)(C)C)nc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 9/20 0.38
MAPK1 P28482 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL4799779 0.73 HRH4 (0.49) HRH4
SCHEMBL4786930 0.72 HRH4 (0.41) HRH4TSHRUSP2MAPTNPSR1
SCHEMBL4786925 0.69 HRH4 (0.41) HRH4KDM4EMAPTNPSR1
SCHEMBL602061 0.66 HRH4 (0.66) HRH4TSHR
SCHEMBL4786717 0.64 KDM4E (0.48) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL4735717 0.63 HRH4 (0.68) HRH4
SCHEMBL4738366 0.63 HRH4 (0.44) HRH4
SCHEMBL3682487 0.61 KIT (0.47) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL3319476 0.61 KMT2A (0.47) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL4137101 0.61 L3MBTL1 (0.54) ALDH1A1TSHRHPGDHSD17B10MAPT

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