SCHEMBL4830774

SCHEMBL4830774

CC[N+](C)(CC)C1Cc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.50
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4967601 0.87 AQP1 (0.47) AQP1
SCHEMBL4836377 0.87 AQP1 (0.36) AQP1MAPTMAPK1NPSR1TDP1
SCHEMBL4713102 0.79 AQP1 (0.54) AQP1MAPTMAPK1NPSR1TDP1
SCHEMBL4970746 0.78 AQP1 (0.46) AQP1MAPK1
SCHEMBL4713099 0.77 AQP1 (0.54) AQP1L3MBTL1
SCHEMBL4791163 0.76 AQP1 (0.36) AQP1
SCHEMBL4225696 0.76 AQP1 (0.82) AQP1
SCHEMBL4232178 0.76 AQP1 (0.83) AQP1MAPTMAPK1NPSR1TDP1
SCHEMBL4232185 0.74 AQP1 (0.67) AQP1
SCHEMBL4968821 0.74 AQP1 (0.38) AQP1MAPTTDP1

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-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed