SCHEMBL4596883

SCHEMBL4596883

Cc1cccc(-c2cc(C(F)(F)F)cc3c2O[CH]C3)c1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.37
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL4712286 0.89 TACR1 (0.38) GPBAR1
SCHEMBL5080947 0.80 GPBAR1 (0.35) GPBAR1HTR1AHTR7
SCHEMBL27703070 0.80 GPBAR1 (0.36) GPBAR1HTR1AHTR7
SCHEMBL5583754 0.80 NOTUM (0.34) GPBAR1
SCHEMBL4608722 0.80 HTR2A (0.32)
SCHEMBL4596605 0.79 ENPP1 (0.36) HTR1AHTR7CNR1CNR2
SCHEMBL27703057 0.78 TACR1 (0.37) GPBAR1
SCHEMBL5583422 0.78 CNR2 (0.33) HTR1ACNR2
SCHEMBL27723637 0.78 GPBAR1 (0.38) GPBAR1HTR7
SCHEMBL5058872 0.78 SMN1; SMN2 (0.47) GPBAR1CNR1CNR2

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
EP-1998764-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS Wyeth a Corporation of the State of Delaware (US) 2008-12-10 EP disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
EP-1871355-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION Wyeth (US) 2008-01-02 EP disclosed
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed
WO-2006116149-A1 NEW THERAPEUTIC COMBIANATIONS FOR THE TREATMENT OR PREVENTION OF DEPRESSION WYETH (US) 2006-11-02 WO disclosed