SCHEMBL4019258

SCHEMBL4019258

CCCCOC(=O)N1CCN(c2nc3ncc(C(F)(F)F)cc3s2)C(COc2cccnc2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.41
CNR2 P34972 1/20 0.36
SMO Q99835 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL778818 0.89 AADAT (0.43) AADAT
SCHEMBL779862 0.77 CHRNA7 (0.53)
Hydrochloric Acid SCHEMBL779561 0.76 CHRNA7 (0.53)
SCHEMBL3928181 0.73 CHRNA7 (0.42) DRD2DRD3
SCHEMBL779470 0.72 MAPT (0.51)
SCHEMBL780215 0.72 GPR119 (0.47)
Hydrochloric Acid SCHEMBL781426 0.72 MAPT (0.51)
SCHEMBL3941127 0.69 KMT2A (0.38) DRD2DRD3
SCHEMBL3934024 0.68 CHRNA7 (0.54)
SCHEMBL10278549 0.68 GPR119 (0.42)

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