SCHEMBL4712286

SCHEMBL4712286

Cc1ccccc1-c1cc(C(F)(F)F)cc2c1O[CH]C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.38
GPBAR1 Q8TDU6 7/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 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
SCHEMBL4596883 0.89 GPBAR1 (0.37) GPBAR1
SCHEMBL5583754 0.84 NOTUM (0.34) GPBAR1GABRPGABRDGABRA1GABRB1
SCHEMBL27703070 0.84 GPBAR1 (0.36) GPBAR1
SCHEMBL27703057 0.83 TACR1 (0.37) TACR1GPBAR1
SCHEMBL27723637 0.83 GPBAR1 (0.38) GPBAR1GABRPGABRDGABRA1GABRB1
SCHEMBL28772994 0.80 DPP4 (0.36) TACR1
SCHEMBL5080947 0.80 GPBAR1 (0.35) TACR1GPBAR1
SCHEMBL4596605 0.78 ENPP1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5058872 0.77 SMN1; SMN2 (0.47) GPBAR1
SCHEMBL27703072 0.77 TDP2 (0.38)

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 5 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
WO-2006116169-A2 METHODS FOR MODULATING BLADDER FUNCTION WYETH (US) 2006-11-02 WO disclosed