SCHEMBL6111175

SCHEMBL6111175

CN1CCN(c2ccccc2CCN2CCc3cc(Br)ccc3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.47
DRD2 P14416 12/20 0.47
DRD4 P21917 9/20 0.47
DRD1 P21728 4/20 0.44
GRM5 P41594 2/20 0.43
NCF1 P14598 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL6110698 0.90 NCF1 (0.43) DRD3DRD2DRD4NCF1PRMT5
SCHEMBL6111842 0.86 DRD2 (0.61) DRD3DRD2DRD4GRM5HRH3
SCHEMBL6111524 0.83 DRD2 (0.64) DRD3DRD2DRD4HRH3
SCHEMBL6111107 0.83 GRM5 (0.46) DRD3DRD2DRD4DRD1GRM5
SCHEMBL6111949 0.81 NCF1 (0.45) DRD3DRD2DRD4NCF1
SCHEMBL6110539 0.80 DRD2 (0.52) DRD3DRD2DRD4HRH3
SCHEMBL582220 0.79 GRM5 (0.51) GRM5PRMT5WDR77HRH3
SCHEMBL6111756 0.79 KCNH2 (0.46) DRD3DRD2DRD4GRM5PRMT5
SCHEMBL6111322 0.76 DRD2 (0.50) DRD3DRD2DRD4GRM5NCF1
SCHEMBL1817669 0.76 GRM5 (0.61) GRM5PRMT5WDR77HRH3

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-2006048727-A1 PIPERAZINYLPHENALKYL LACTAM/AMINE LIGANDS FOR THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2006-05-11 WO claimed