SCHEMBL6047656

SCHEMBL6047656

COc1ccc(C2=CC(Oc3ccccc3)=CC[CH]2)c(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
GRIN2B Q13224 1/20 0.35
CHRM5 P08912 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PDK2 Q15119 1/20 0.34
PTPN1 P18031 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR6 P51684 1/20 0.34
KCNH2 Q12809 1/20 0.34
NAAA Q02083 1/20 0.34
DGAT2 Q96PD7 1/20 0.33

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
SCHEMBL6047659 0.92 THRA (0.39) CHRM5PTPN1NAAADGAT2
SCHEMBL6047648 0.84 NAAA (0.42) PTPN1NAAADGAT2
SCHEMBL6047622 0.82 CYP24A1 (0.40) PDK2
SCHEMBL6047596 0.81 ABL1 (0.45) NPC1RAB9AHDAC8PTPN1NAAA
SCHEMBL6047600 0.81 ACHE (0.39) PTPN1L3MBTL1NAAA
SCHEMBL6047602 0.80 NAAA (0.37) PTPN1NAAADGAT2
SCHEMBL6047613 0.80 THRA (0.39) PTPN1L3MBTL1NAAA
SCHEMBL6047594 0.78 NAAA (0.40) NPC1PTPN1L3MBTL1NAAADGAT2
SCHEMBL6047626 0.77 NPC1 (0.36) NPC1RAB9APDK2PTPN1L3MBTL1
SCHEMBL6047643 0.75 P2RX7 (0.37) HCRTR1HCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed