SCHEMBL3933820

SCHEMBL3933820

CCCCOC(=O)N1CCN(C(=O)c2coc(N3CCOCC3)n2)C(COc2cccnc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 4/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
CHRNA7 P36544 2/20 0.35
MAPT P10636 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
SCHEMBL779513 0.88 GPR119 (0.40) POLBCHRNA7
SCHEMBL3941127 0.88 KMT2A (0.38) KMT2ADRD2DRD3CHRNA7
SCHEMBL779291 0.79 CHRNA7 (0.52) CHRNA7
Hydrochloric Acid SCHEMBL779238 0.78 KCNH2 (0.53) CHRNA7
SCHEMBL779305 0.74 POLB (0.42) POLBCHRNA7
SCHEMBL3934024 0.74 CHRNA7 (0.54) CHRNA7
SCHEMBL3933157 0.73 CHRNA1 (0.40) DRD2DRD3CHRNA7
SCHEMBL781380 0.73 GBA1 (0.41)
SCHEMBL10278549 0.72 GPR119 (0.42) CHRNA7
SCHEMBL3928181 0.72 CHRNA7 (0.42) KMT2ADRD2DRD3CHRNA7MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed