SCHEMBL6921953

SCHEMBL6921953

Cc1ccc(Cn2c(-c3ccccc3)cc3cc(Cl)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.54
CCR2 P41597 8/20 0.49
TP53 P04637 1/20 0.49
CNR2 P34972 1/20 0.48
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
ACLY P53396 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6085769 0.92 PTGS2 (0.57) PTGS2CCR2TP53CNR2GRIK1
SCHEMBL6820278 0.90 PTGS2 (0.53) PTGS2CCR2GRIK1GRIK2ACLY
SCHEMBL6824420 0.85 PTGS2 (0.59) PTGS2CCR2TP53GRIK1GRIK2
SCHEMBL6086162 0.81 PTGS2 (0.71) PTGS2CCR2CNR2KDM4EHPGD
SCHEMBL8648612 0.81 GRIK1 (0.65) PTGS2CCR2GRIK1GRIK2ACLY
SCHEMBL6823866 0.80 CCR2 (0.52) PTGS2CCR2
SCHEMBL8762380 0.79 CCR2 (0.72) CCR2ACLY
SCHEMBL28384928 0.78 CCR2 (0.64) PTGS2CCR2TP53
SCHEMBL8763020 0.77 CCR2 (0.47) PTGS2CCR2ACLY
SCHEMBL6817364 0.77 CCR2 (0.52) CCR2

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-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed