SCHEMBL5311601

SCHEMBL5311601

O=C(NC1CCCC1)c1ccc(C2CCC(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.44
HCRTR1 O43613 1/20 0.41
CNR1 P21554 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCD O00767 1/20 0.40
F2R P25116 1/20 0.39
DPP4 P27487 2/20 0.38
DPP7 Q9UHL4 2/20 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
SCHEMBL5308057 0.99 PTGES (0.45) PTGESHCRTR1CNR1KDM4EGLA
SCHEMBL5307816 0.98 HCRTR1 (0.43) PTGESHCRTR1CNR1SCDDPP4
SCHEMBL5307458 0.96 DPP4 (0.41) PTGESHCRTR1L3MBTL1SCDDPP4
SCHEMBL5307867 0.86 ABL1 (0.41) PTGESHCRTR1KDM4EGLAHTT
SCHEMBL5313055 0.84 KDM4E (0.52) HCRTR1KDM4EGLAHTTKMT2A
SCHEMBL5309106 0.83 HPGD (0.41) SCDF2R
SCHEMBL5312923 0.81 NPC1 (0.44) KDM4EKMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL5313034 0.80 MGLL (0.45) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5307724 0.75 USP30 (0.47) PTGESHCRTR1SCDDPP4DPP7
SCHEMBL6930440 0.73 LMNA (0.63) PTGESKDM4EHTTKMT2ASMN1; 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-2007044085-A2 HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-19 WO disclosed