SCHEMBL6657239

SCHEMBL6657239

C=CCN1CCCCC1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.48
DPP7 Q9UHL4 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
OPRD1 P41143 2/20 0.44
DPP4 P27487 2/20 0.44
ACHE P22303 2/20 0.43
ALDH1A1 P00352 1/20 0.42
DPP9 Q86TI2 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL6904668 1.00 DPP8 (0.48) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6660312 0.88 DPP8 (0.47) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6662353 0.86 DPP8 (0.50) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6902200 0.86 DPP8 (0.50) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6902204 0.86 DPP8 (0.50) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6659166 0.85 DPP8 (0.49) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6904670 0.85 DPP8 (0.49) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6664724 0.85 DPP8 (0.49) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6663014 0.82 MAPT (0.54) DPP8DPP7LMNAMAPTNPSR1
SCHEMBL6908549 0.82 MAPT (0.54) DPP8DPP7LMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed