SCHEMBL5599213

SCHEMBL5599213

CC(C)c1ccc(N2CCNC(Cc3ccccc3N3CCN(C)CC3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
HTR1A P08908 2/20 0.40
BRD9 Q9H8M2 5/20 0.39
BRPF1 P55201 3/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
NCF1 P14598 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR6 P50406 1/20 0.37
BRD4 O60885 2/20 0.36
MC4R P32245 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5592389 0.86 DRD2 (0.39) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL5592318 0.82 MEN1 (0.36) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL5592325 0.82 NCF1 (0.36) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL5745894 0.80 BRD9 (0.39) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL5592174 0.80 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL5592291 0.79 BRD9 (0.38) SLC6A2SLC6A4SLC6A3HTR1ABRD9
Hydrochloric Acid SCHEMBL6408358 0.79 BRD9 (0.38) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL22410991 0.74 ROCK2 (0.41) SLC6A2SLC6A4SLC6A3HTR1ABRD9
SCHEMBL6434969 0.73 ROCK2 (0.44) SLC6A2HTR1ABRD9BRPF1DRD2
Citric Acid SCHEMBL6405366 0.72 MC4R (0.34) SLC6A2SLC6A4SLC6A3HTR1ABRD9

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