SCHEMBL8136808

SCHEMBL8136808

CC(=O)NCCN1CCN(C2=CC=NCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ MTNR1A P48039 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8153224 0.75 DRD2 (0.45) DRD2DRD4SIRT2SIRT1SIRT3
SCHEMBL13306274 0.73 — —
SCHEMBL4781902 0.73 NPSR1 (0.60) DRD2DRD4SIRT2SIRT1SIRT3
SCHEMBL8144205 0.72 DRD2 (0.43) DRD2DRD4SIRT2SIRT1SIRT3
SCHEMBL8146862 0.70 DRD2 (0.62) DRD2DRD4
SCHEMBL8143085 0.69 DRD2 (0.43) DRD2DRD4SIRT2SIRT1SIRT3
SCHEMBL25150721 0.69 NPSR1 (0.55) DRD2DRD4SIRT2SIRT1SIRT3
SCHEMBL6485089 0.69 NPSR1 (0.45) DRD2DRD4SIRT2SIRT1SIRT3
SCHEMBL2091285 0.69 HDAC2 (0.54) DRD2DRD4HDAC2HDAC8HDAC6
SCHEMBL8139006 0.67 NPSR1 (0.52) DRD2DRD4HDAC2HDAC8HDAC6

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-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 — — WO disclosed
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