SCHEMBL5592270

SCHEMBL5592270

CC(C)N1CCN(c2ccc(C(C)(C)C)cc2)C(=O)C1Cc1ccccc1N1CCN(C)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
MC4R P32245 1/20 0.36
NCF1 P14598 1/20 0.36
BRD9 Q9H8M2 8/20 0.36
BRPF1 P55201 3/20 0.36
BRD4 O60885 2/20 0.35
HTR1A P08908 2/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5592330 0.85 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5599366 0.85 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5592192 0.84 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5592389 0.78 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5611716 0.78 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5592486 0.78 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL5592512 0.78 DRD2 (0.39) DRD2DRD3KCNH2NCF1BRD9
Hydrochloric Acid SCHEMBL5739570 0.78 DRD2 (0.38) DRD2DRD3KCNH2NCF1BRD9
SCHEMBL1737760 0.75 ROCK2 (0.41) DRD2DRD3MC4RNCF1BRD9

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