SCHEMBL5599366

SCHEMBL5599366

CN1CCN(c2ccccc2CC2C(=O)N(c3ccc(C(C)(C)C)cc3)CCN2S(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
KCNH2 Q12809 1/20 0.39
HSD11B1 P28845 7/20 0.38
NCF1 P14598 1/20 0.36
BRD9 Q9H8M2 3/20 0.35
BRD4 O60885 2/20 0.35
BRPF1 P55201 2/20 0.35
HTR1A P08908 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
DRD4 P21917 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR6 P50406 4/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL5592172 0.88 DRD2 (0.42) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5592270 0.85 DRD2 (0.39) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5592330 0.85 DRD2 (0.39) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5592192 0.84 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5592512 0.78 DRD2 (0.39) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5592486 0.78 DRD2 (0.39) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5592389 0.78 DRD2 (0.39) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5611716 0.78 DRD2 (0.39) DRD2DRD3KCNH2HSD11B1NCF1
Hydrochloric Acid SCHEMBL5739570 0.78 DRD2 (0.38) DRD2DRD3KCNH2HSD11B1NCF1
SCHEMBL5592316 0.74 DRD2 (0.37) DRD2DRD3KCNH2HSD11B1NCF1

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