SCHEMBL3859909

SCHEMBL3859909

CC(C)CCN1CCN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.52
TACR3 P29371 6/20 0.49
CHRM4 P08173 3/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
SSTR3 P32745 1/20 0.45

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
Hydrochloric Acid SCHEMBL3861830 0.99 PANK3 (0.51) PANK3TACR3CHRM4PDK1PDK2
SCHEMBL3861402 0.84 PANK3 (0.55) PANK3
Hydrochloric Acid SCHEMBL3862033 0.83 PANK3 (0.54) PANK3
SCHEMBL13683838 0.82 PANK3 (0.51) PANK3TACR3CHRM4
SCHEMBL13683834 0.81 HRH3 (0.56) PANK3
Hydrochloric Acid SCHEMBL3859574 0.80 HRH3 (0.55) PANK3
SCHEMBL3865413 0.80 PDK1 (0.52) PANK3TACR3CHRM4PDK1PDK2
SCHEMBL4694600 0.80 PDK1 (0.52) PANK3TACR3CHRM4PDK1PDK2
SCHEMBL26292225 0.79 PANK3 (0.59) PANK3CHRM4
Hydrochloric Acid SCHEMBL3860725 0.79 PDK1 (0.51) PANK3TACR3CHRM4PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592347-B2 Piperazine derivates and their use for the treatment of neurological and psychiatric diseases GLAXO GROUP LIMITED (GB) 2009-09-22 US claimed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP claimed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP claimed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 WO claimed
EP-1615909-B1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
EP-1615909-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2006-01-18 EP disclosed
WO-2004101546-A1 PIPERAZINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISEASES GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed