SCHEMBL7681003

SCHEMBL7681003

CC(C)(C)OC(=O)NCCCN1CCC2(CC1)c1ccccc1-c1ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.53
SIGMAR1 Q99720 3/20 0.46
PDK2 Q15119 1/20 0.46
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
ADRA1A P35348 1/20 0.43
CNR2 P34972 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
SCHEMBL7677837 0.91 DRD2 (0.59) DRD2SIGMAR1PDK2ADRA1ACNR2
SCHEMBL7681348 0.89 DRD2 (0.51) DRD2SIGMAR1PDK2ADRA1ACNR2
SCHEMBL7681697 0.82 DRD2 (0.52) DRD2SIGMAR1ADRA1A
SCHEMBL7234672 0.82 DRD2 (0.59) DRD2SIGMAR1DRD4DRD3ADRA1A
SCHEMBL7672325 0.81 DRD2 (0.51) DRD2SIGMAR1PDK2ADRA1A
SCHEMBL7681665 0.80 DRD2 (0.56) DRD2SIGMAR1ADRA1ACNR2
SCHEMBL7674334 0.80 DRD2 (0.56) DRD2SIGMAR1ADRA1ACNR2
SCHEMBL7675375 0.79 DRD2 (0.55) DRD2SIGMAR1ADRA1ACNR2
SCHEMBL7675331 0.79 DRD2 (0.54) DRD2SIGMAR1ADRA1ACNR2
SCHEMBL7675117 0.77 DRD2 (0.42) DRD2SIGMAR1PDK2

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
US-6387893-B1 ADRENERGIC BLOCKING AGENT; BENIGN PROSATATIC HYPERPLASIA MERCK & CO., INC. 2002-05-14 US disclosed