SCHEMBL14733005

SCHEMBL14733005

Cc1cccc(-c2nccc(CCCc3cccc(-c4nc(C)cc(C)n4)n3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
TGFBR1 P36897 2/20 0.43
FFAR1 O14842 16/20 0.40
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39

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
SCHEMBL14732908 0.93 CCR1 (0.42) GRM5TGFBR1FFAR1CCR1CCR8
SCHEMBL14732901 0.89 CCR1 (0.50) GRM5TGFBR1FFAR1CCR1CCR8
SCHEMBL14733029 0.84 NOS2 (0.44) GRM5TGFBR1CCR1CCR8
SCHEMBL14733134 0.83 CCR1 (0.50) GRM5TGFBR1CCR1CCR8
SCHEMBL14733157 0.82 GRM5 (0.44) GRM5TGFBR1FFAR1CCR1CCR8
SCHEMBL14733149 0.82 CCR1 (0.42) GRM5TGFBR1CCR1CCR8
SCHEMBL10369402 0.81 KCNH2 (0.47) GRM5TGFBR1CCR1CCR8
SCHEMBL14733156 0.81 GRM5 (0.49) GRM5TGFBR1CCR1CCR8
SCHEMBL14733135 0.80 LMNA (0.44) GRM5TGFBR1FFAR1CCR1CCR8
SCHEMBL14732990 0.80 NOS2 (0.49) TGFBR1FFAR1CCR1CCR8

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