SCHEMBL4607974

SCHEMBL4607974

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.32
PDE3A Q14432 2/20 0.32
PDE3B Q13370 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HK1 P19367 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL4960255 0.85 CETP (0.35) PDE3APDE3B
SCHEMBL4759176 0.84 MAPK14 (0.36) MAPTCA1CA2
SCHEMBL27723761 0.81 PTGS2 (0.35) KDM4EALDH1A1MAPTTHRBRAB9A
SCHEMBL4964977 0.78 TDP2 (0.33) PDE3APDE3B
SCHEMBL4608351 0.78 AQP1 (0.42) AQP1MAPTTDP1
SCHEMBL5586497 0.78 AQP1 (0.54) AQP1KDM4EALDH1A1LMNAMAPT
SCHEMBL28769082 0.78 HTR1A (0.37) PDE3APDE3BMAPTLRRK2
SCHEMBL27723664 0.78 AQP1 (0.36) AQP1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL5586510 0.76 AQP1 (0.38) AQP1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL27703038 0.76 HTR7 (0.38) PDE3APDE3BKDM4EALDH1A1LMNA

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 3 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
WO-2007112065-A2 METHODS FOR TREATING COGNITIVE AND OTHER DISORDERS WYETH (US) 2007-10-04 WO disclosed