SCHEMBL6027356

SCHEMBL6027356

CCCC(O)C1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
GNAI3 P08754 4/20 0.36
GNAO1 P09471 4/20 0.36
GNAI1 P63096 4/20 0.36
TACR2 P21452 1/20 0.33
GLB1 P16278 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL20041835 0.89 NCF1 (0.35) NCF1GNAI3GNAO1GNAI1TACR2
SCHEMBL12535970 0.85 NCF1 (0.35) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL12535764 0.84 NCF1 (0.38) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL7876684 0.84
SCHEMBL4594598 0.83 NCF1 (0.43) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL12593604 0.82 NCF1 (0.39) NCF1GNAI3GNAO1GNAI1HRH4
SCHEMBL11892780 0.79 TP53 (0.50)
SCHEMBL12134648 0.79
SCHEMBL1665955 0.79 TP53 (0.50)
SCHEMBL11892781 0.79 TP53 (0.50)

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-1673348-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-28 EP disclosed
WO-2005044807-A2 BENZOIMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-19 WO disclosed