SCHEMBL7473496

SCHEMBL7473496

CN1CCN(c2nccnc2OCCOc2cccc3ccc(N)nc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.54
MCHR1 Q99705 15/20 0.53

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
SCHEMBL4317246 0.86 NCF1 (0.50) NCF1MCHR1
SCHEMBL4320241 0.77 NCF1 (0.47) NCF1MCHR1
SCHEMBL2640239 0.77 NCF1 (0.47) NCF1MCHR1
SCHEMBL7473488 0.75 NCF1 (0.47) NCF1MCHR1
SCHEMBL4315863 0.74 MCHR1 (0.40) NCF1MCHR1
SCHEMBL4312087 0.73 HTR2C (0.52)
SCHEMBL7473337 0.73 HRH4 (0.50)
SCHEMBL4321231 0.72 PDE10A (0.43) MCHR1
SCHEMBL23412964 0.72 NCF1 (1.00) NCF1MCHR1
SCHEMBL23412162 0.72 NCF1 (1.00) NCF1MCHR1

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-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed