SCHEMBL4704073

SCHEMBL4704073

NC1CCN(CCc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.55
SLC6A4 P31645 4/20 0.52
SLC6A3 Q01959 4/20 0.52
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ACHE P22303 3/20 0.47
BCHE P06276 2/20 0.47
BACE1 P56817 2/20 0.47
GRIN2B Q13224 1/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL2856132 0.85 ALDH1A1 (0.64) CARM1PRMT6ALDH1A1ACHEBCHE
SCHEMBL10499190 0.81 SIGMAR1 (0.73) SPHK1SLC6A4SIGMAR1KCNH2HRH3
SCHEMBL4626311 0.81 ALDH1A1 (0.75) SLC6A4SLC6A3CARM1PRMT6ALDH1A1
SCHEMBL2092331 0.79 SLC6A4 (0.58) SLC6A4SLC6A3CARM1PRMT6ALDH1A1
SCHEMBL5450666 0.79 SLC6A4 (0.54) SLC6A4SLC6A3CARM1PRMT6ALDH1A1
SCHEMBL4626549 0.79 TSHR (0.73) SLC6A4SLC6A3CARM1PRMT6ALDH1A1
SCHEMBL3599810 0.79 SPHK1 (0.63) SPHK1KCNH2HRH3
Trifluoroacetic Acid SCHEMBL1920777 0.78 BCHE (0.56) ALDH1A1ACHEBCHEBACE1TSHR
SCHEMBL2157439 0.77 KCNH2 (0.57) SIGMAR1KCNH2
SCHEMBL7028565 0.77 SLC6A4 (0.45) SLC6A4SLC6A3CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673084-B1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS WYETH CORP (US) 2008-07-09 EP claimed
EP-1673084-B1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS WYETH CORP (US) 2008-07-09 EP disclosed
EP-1673084-A1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS Wyeth (US) 2006-06-28 EP disclosed
WO-2005037279-A1 1- 2’ (1, 4’-BIPERIDIN-1’-YL)-1- (PHENYL) -ETHYL CYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VISOMOTOR SYMPTOMS WYETH (US) 2005-04-28 WO disclosed