SCHEMBL4964977

SCHEMBL4964977

Fc1ccc(-c2cc(Cl)cc3c2O[CH]C3)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.33
CNR1 P21554 2/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CTSD P07339 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
SCHEMBL27723625 0.84 HTR2A (0.40)
SCHEMBL4713338 0.80 GPBAR1 (0.34) TDP2PDE3BPDE3A
SCHEMBL4794338 0.79 MAPK14 (0.41) TDP2
SCHEMBL4607974 0.78 AQP1 (0.32) PDE3BPDE3A
SCHEMBL4596615 0.77 AQP1 (0.39)
SCHEMBL4608351 0.73 AQP1 (0.42)
SCHEMBL5586497 0.73 AQP1 (0.54)
SCHEMBL4712016 0.73 AQP1 (0.40) CNR1
SCHEMBL4712018 0.73 AQP1 (0.40) PDE3BPDE3ACTSD
SCHEMBL4609617 0.72 AQP1 (0.36)

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-1898895-A2 TREATMENT OF DRUG ABUSE Wyeth (US) 2008-03-19 EP disclosed
WO-2006116148-A2 (7-ARLYSUBSTITUTED 2, 3-DIHYDR0-1-BENZ0FURAN-2-YL) ALKYLAMINES IN THE TREATMENT' OF SUBSTANCE ABUSE WYETH (US) 2006-11-02 WO disclosed