SCHEMBL14733157

SCHEMBL14733157

Cc1cccc(-c2cccc(CCCc3cccc(-c4nccc(Cl)n4)n3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.44
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
KCNH2 Q12809 2/20 0.35
TGFBR1 P36897 8/20 0.33
CYP2A6 P11509 1/20 0.33
METAP2 P50579 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TGFBR2 P37173 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPK14 Q16539 1/20 0.30

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
SCHEMBL14733134 0.86 CCR1 (0.50) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL4542421 0.86 GRM5 (0.55) GRM5CCR1CCR8TGFBR1CYP2A6
SCHEMBL14732908 0.85 CCR1 (0.42) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL14733149 0.84 CCR1 (0.42) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL14733156 0.83 GRM5 (0.49) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL14733135 0.83 LMNA (0.44) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL14733158 0.82 CCR1 (0.40) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL14733005 0.82 GRM5 (0.44) GRM5CCR1CCR8TGFBR1FFAR1
SCHEMBL14732969 0.81 CCR1 (0.64) GRM5CCR1CCR8KCNH2TGFBR1
SCHEMBL14733029 0.79 NOS2 (0.44) GRM5CCR1CCR8KCNH2TGFBR1

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