SCHEMBL14733134

SCHEMBL14733134

Cc1cccc(-c2cccc(CCCc3cccc(-c4ncccn4)n3)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.50
CCR8 P51685 2/20 0.50
GRM5 P41594 3/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2A6 P11509 1/20 0.38
METAP2 P50579 1/20 0.38
TGFBR1 P36897 7/20 0.37
APP P05067 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14732969 0.88 CCR1 (0.64) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14732908 0.87 CCR1 (0.42) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14733157 0.86 GRM5 (0.44) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14733149 0.86 CCR1 (0.42) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14733156 0.85 GRM5 (0.49) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14732901 0.84 CCR1 (0.50) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14733158 0.84 CCR1 (0.40) CCR1CCR8GRM5KCNH2CYP2A6
SCHEMBL14733005 0.83 GRM5 (0.44) CCR1CCR8GRM5TGFBR1
SCHEMBL3409467 0.83 CCR1 (0.65) CCR1CCR8GRM5CYP2A6METAP2
SCHEMBL7952137 0.81 CCR1 (0.70) CCR1CCR8KCNH2CYP2A6METAP2

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