SCHEMBL5331361

SCHEMBL5331361

CC(C)(C)[SiH2]OC(C)(C)c1cc(-c2ccc(F)cc2Cl)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.38
CNR1 P21554 4/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
REN P00797 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.33
MAPT P10636 3/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
STAT3 P40763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 2/20 0.33
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL5327891 0.88 MAPT (0.43) NPC1RAB9AMAPTLMNAHSD11B1
SCHEMBL5332143 0.84 GALR3 (0.34) MAPTGALR3LMNASTAT3SMN1; SMN2
SCHEMBL5334515 0.77 CHRNB2 (0.38) CHRNB2CHRNA4BRD4MAPTLMNA
SCHEMBL5335652 0.77 KMT2A (0.40) CHRNB2CHRNA4RAB9ABRD4MAPT
SCHEMBL23982537 0.68 CHRNB2 (0.46) CHRNB2CHRNA4NPC1RAB9AREN
SCHEMBL5331359 0.68 NPC1 (0.38) CNR2CNR1CHRNB2CHRNA4NPC1
SCHEMBL5802048 0.68 CNR2 (0.35) CNR2CNR1CHRNB2CHRNA4NPC1
SCHEMBL5306222 0.65 NOTUM (0.53) CHRNB2CHRNA4NPC1RAB9AREN
SCHEMBL22407028 0.65 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2HSD11B1
SCHEMBL15081822 0.64 MEN1 (0.46) CNR2CNR1NPC1RAB9ABRD4

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-2007034445-A2 NOVEL PIPERAZINE DERIVATIVES AS RENIN INHIBITORS FOR CARDIOVASCULAR EVENTS AND RENAL INSUFFICIENCY ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO disclosed