SCHEMBL17861663

SCHEMBL17861663

C=Cc1cc(OC2(C)CCN(CCOc3ccccc3)C2)ccc1N

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.64
LTA4H P09960 2/20 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
SCHEMBL17861668 0.89 DRD2 (0.69) DRD2LTA4H
SCHEMBL17861530 0.88 DRD2 (0.60) DRD2LTA4H
SCHEMBL17861532 0.85 DRD2 (0.60) DRD2LTA4H
SCHEMBL17861615 0.85 DRD2 (0.57) DRD2LTA4H
SCHEMBL17848581 0.84 DRD2 (0.74) DRD2LTA4H
SCHEMBL17861552 0.84 DRD2 (0.70) DRD2
SCHEMBL17848341 0.83 DRD2 (0.72) DRD2LTA4H
SCHEMBL17848374 0.82 DRD2 (0.78) DRD2LTA4H
SCHEMBL17848556 0.82 DRD2 (0.85) DRD2LTA4H
SCHEMBL17848322 0.82 DRD2 (0.69) DRD2LTA4H

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-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed