SCHEMBL10355545

SCHEMBL10355545

CCCCc1cc(OC)c(OC)c(C(=O)NCC2CCCN2CC)c1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.72
DRD3 P35462 2/20 0.72
DRD4 P21917 1/20 0.70
ABCG2 Q9UNQ0 1/20 0.68

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
SCHEMBL10355543 1.00 DRD2 (0.72) DRD2DRD3DRD4ABCG2
SCHEMBL19219858 0.91 DRD2 (0.85) DRD2DRD3DRD4
SCHEMBL10355397 0.90 DRD2 (0.81) DRD2DRD3ABCG2
SCHEMBL10355398 0.90 DRD2 (0.81) DRD2DRD3ABCG2
SCHEMBL28530726 0.88 DRD3 (0.63) DRD2DRD3DRD4ABCG2
SCHEMBL28546528 0.87 DRD3 (0.62) DRD2DRD3DRD4ABCG2
SCHEMBL28541227 0.87 DRD3 (0.62) DRD2DRD3DRD4ABCG2
SCHEMBL10355427 0.85 DRD2 (0.80) DRD2DRD3ABCG2
SCHEMBL10355426 0.85 DRD2 (0.80) DRD2DRD3ABCG2
SCHEMBL28538960 0.84 DRD3 (0.68) DRD2DRD3ABCG2

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
EP-0207913-B1 CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1990-10-31 EP disclosed