SCHEMBL14733147

SCHEMBL14733147

COc1cc(C)nc(-c2cccc(CCCc3cccc(-c4cccc(C)n4)n3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
TGFBR1 P36897 1/20 0.40
FFAR1 O14842 7/20 0.38
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL10369024 0.88 KCNH2 (0.43) FFAR1HTTMAPK1NOS1NOS2
SCHEMBL14732901 0.88 CCR1 (0.50) CCR1CCR8TGFBR1FFAR1NOS1
SCHEMBL10369013 0.85 FFAR1 (0.40) FFAR1HTTMAPK1NOS1NOS2
SCHEMBL14733152 0.84 NOS2 (0.44) CCR1CCR8FFAR1NOS1NOS2
SCHEMBL14733158 0.84 CCR1 (0.40) CCR1CCR8TGFBR1FFAR1GAA
SCHEMBL14733145 0.82 IRAK4 (0.36) CCR1CCR8TGFBR1FFAR1GAA
SCHEMBL14733135 0.82 LMNA (0.44) CCR1CCR8TGFBR1FFAR1HTT
SCHEMBL14733132 0.82 CCR1 (0.43) CCR1CCR8TGFBR1FFAR1NOS1
SCHEMBL14733146 0.81 CCR1 (0.42) CCR1CCR8TGFBR1FFAR1NOS1
SCHEMBL14732969 0.80 CCR1 (0.64) CCR1CCR8TGFBR1NOS1NOS2

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-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed