SCHEMBL4960108

SCHEMBL4960108

CC(=O)NCC1Cc2ccc(F)c(-c3ccccc3C)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
AQP1 P29972 2/20 0.38
MTNR1B P49286 5/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
CALML3 P27482 1/20 0.36
SDHA P31040 1/20 0.36
RORC P51449 3/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL4230959 0.92 AQP1 (0.39) MTNR1AAQP1ALDH1A1MAPK1LMNA
SCHEMBL4960669 0.90 AQP1 (0.47) MTNR1AAQP1MTNR1BALDH1A1MAOA
SCHEMBL13993001 0.86 MTNR1A (0.43) MTNR1AAQP1MTNR1BMAOAMAOB
SCHEMBL4230830 0.85 AQP1 (0.52) AQP1ALDH1A1MAPK1PRKAB2PRKAG1
SCHEMBL4963338 0.82 AQP1 (0.50) MTNR1AAQP1MTNR1BALDH1A1MAPK1
SCHEMBL4963332 0.82 AQP1 (0.50) MTNR1AAQP1MTNR1BALDH1A1MAPK1
SCHEMBL4226843 0.82 PRKAB2 (0.39) AQP1ALDH1A1MAPK1PRKAB2PRKAG1
SCHEMBL4220483 0.80 PRKAB2 (0.50) AQP1ALDH1A1MAPK1PRKAB2PRKAG1
SCHEMBL4230833 0.79 PRKAB2 (0.41) AQP1ALDH1A1MAPK1PRKAB2PRKAG1
SCHEMBL4961605 0.78 AQP1 (0.58) MTNR1AAQP1MTNR1BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
EP-1871754-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116136-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060246551-A1 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2006-11-02 US disclosed