SCHEMBL6821149

SCHEMBL6821149

COc1ccc2c(c1)cc(-c1ccccc1)n2Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.75
GRIK2 Q13002 1/20 0.75
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
CCR2 P41597 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL6117699 0.89 GRIK1 (0.64) GRIK1GRIK2CCR2
SCHEMBL6118285 0.87 GRIK1 (0.61) GRIK1GRIK2CCR2TP53MAPT
SCHEMBL6117558 0.86 GRIK1 (0.60) GRIK1GRIK2CCR2
SCHEMBL8642549 0.86 GRIK2 (1.00) GRIK1GRIK2ALDH1A1POLBMAPT
SCHEMBL6117784 0.84 GRIK1 (0.58) GRIK1GRIK2CCR2
SCHEMBL8762627 0.83 GRIK1 (0.57) GRIK1GRIK2ALDH1A1CCR2
SCHEMBL14136817 0.83 GRIK2 (0.80) GRIK1GRIK2ALDH1A1HPGDSMN1; SMN2
SCHEMBL27783800 0.81 GRIK1 (0.71) GRIK1GRIK2ALDH1A1POLBHPGD
SCHEMBL8762536 0.81 GRIK1 (0.57) GRIK1GRIK2CCR2
SCHEMBL8762492 0.81 GRIK1 (0.57) GRIK1GRIK2CCR2

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