SCHEMBL7681697

SCHEMBL7681697

CC(C)(C)OC(=O)NCCCN1CCC2(CC1)c1ccccc1-c1ncccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.52
SIGMAR1 Q99720 3/20 0.47
PDPK1 O15530 1/20 0.46
CCNB2 O95067 1/20 0.46
PRKCB P05771 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CCNA1 P78396 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
ADRA1A P35348 1/20 0.44

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 0.90 DRD2 (0.59) DRD2SIGMAR1ADRA1A
SCHEMBL7672325 0.90 DRD2 (0.51) DRD2SIGMAR1PDPK1CCNB2PRKCB
SCHEMBL7681348 0.82 DRD2 (0.51) DRD2SIGMAR1ADRA1A
SCHEMBL7681003 0.82 DRD2 (0.53) DRD2SIGMAR1ADRA1A
SCHEMBL7674334 0.81 DRD2 (0.56) DRD2SIGMAR1ADRA1A
SCHEMBL7681665 0.81 DRD2 (0.56) DRD2SIGMAR1ADRA1A
SCHEMBL7675375 0.80 DRD2 (0.55) DRD2SIGMAR1ADRA1A
SCHEMBL30584807 0.79 DRD2 (0.54) DRD2SIGMAR1ADRA1A
SCHEMBL7675331 0.79 DRD2 (0.54) DRD2SIGMAR1ADRA1A
SCHEMBL7675108 0.78 POLB (0.52)

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