SCHEMBL4630210

SCHEMBL4630210

CCCCC(C)N1[CH]CCCC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL294467 0.80
SCHEMBL3869954 0.71 HRH3 (0.41) HRH3
SCHEMBL28237829 0.71 HRH3 (0.41) HRH3
SCHEMBL734711 0.71
SCHEMBL24114952 0.70 HRH3 (0.44) HRH3
SCHEMBL4556064 0.70 HRH3 (0.44) HRH3
Water SCHEMBL22609081 0.70 HRH3 (0.40) HRH3
Water SCHEMBL28467825 0.68 HRH3 (0.42) HRH3
SCHEMBL2099498 0.68 CYP1A2 (0.34)
SCHEMBL6506199 0.67 L3MBTL1 (0.33) HRH3

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-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed