SCHEMBL5592389

SCHEMBL5592389

CN1CCN(c2ccccc2CC2NCCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR1A P08908 3/20 0.38
NCF1 P14598 1/20 0.37
BRD9 Q9H8M2 5/20 0.36
BRD4 O60885 2/20 0.36
BRPF1 P55201 2/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA2C P18825 1/20 0.34
HSD11B1 P28845 2/20 0.34
BRD7 Q9NPI1 2/20 0.34
GNRHR P30968 2/20 0.34
HTR3A P46098 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL5599213 0.86 SLC6A2 (0.40) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL5592191 0.85 HSD11B1 (0.36) DRD2DRD3KCNH2HSD11B1
SCHEMBL5592378 0.85 HSD11B1 (0.37) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL5592316 0.83 DRD2 (0.37) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL5592325 0.82 NCF1 (0.36) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL5592318 0.82 MEN1 (0.36) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL5592172 0.82 DRD2 (0.42) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL5611716 0.80 DRD2 (0.39) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL5592512 0.80 DRD2 (0.39) DRD2DRD3KCNH2SLC6A2SLC6A4
SCHEMBL5592486 0.80 DRD2 (0.39) DRD2DRD3KCNH2SLC6A2SLC6A4

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-2007057742-A2 NOVEL PIPERAZINONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed