SCHEMBL4596815

SCHEMBL4596815

Cc1ccc(C)c(-c2cc(F)cc3c2OC(C)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.47
AQP1 P29972 3/20 0.41
BRD4 O60885 3/20 0.35
ACHE P22303 2/20 0.35
MAOB P27338 5/20 0.33
CREBBP Q92793 2/20 0.33
MAOA P21397 1/20 0.32
HMGCR P04035 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
SCHEMBL4596827 0.86 AQP1 (0.53) PARP1AQP1BRD4CREBBP
SCHEMBL4596814 0.85 AQP1 (0.40) PARP1AQP1ACHEMAOB
SCHEMBL4762568 0.84 PARP1 (0.48) PARP1AQP1BRD4MAOBCREBBP
SCHEMBL4595097 0.84 PARP1 (0.43) PARP1AQP1ACHECREBBP
SCHEMBL4597048 0.84 PARP1 (0.43) PARP1AQP1ACHEMAOB
SCHEMBL4596742 0.83 PARP1 (0.49) PARP1AQP1BRD4MAOBMAOA
SCHEMBL4225672 0.83 AQP1 (0.61) PARP1AQP1ACHEMAOBHMGCR
SCHEMBL4711421 0.81 ALDH1A1 (0.38) BRD4ACHEMAOBCREBBPMAOA
SCHEMBL4225487 0.81 AQP1 (0.65) AQP1MAOB
SCHEMBL4225490 0.81 AQP1 (0.50) PARP1AQP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509174-A 2007-04-12 JP claimed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP claimed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO claimed
EP-1874292-A2 METHODS FOR MODULATING BLADDER FUNCTION Wyeth (US) 2008-01-09 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871356-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116170-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed