SCHEMBL4701986

SCHEMBL4701986

CNC1CCN(CCc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.66
PRMT6 Q96LA8 3/20 0.66
CXCR3 P49682 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
PIM1 P11309 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL4626392 0.79 SLC6A4 (0.55) CARM1PRMT6SIGMAR1HRH3KCNH2
SCHEMBL27780878 0.78 CARM1 (0.50) CARM1PRMT6CXCR3KCNH2
SCHEMBL22254770 0.78 HRH3 (0.66) SIGMAR1HRH3
SCHEMBL25541603 0.78 CARM1 (0.50) CARM1PRMT6SIGMAR1HRH3
SCHEMBL13202954 0.77 CARM1 (0.62) CARM1PRMT6SIGMAR1HRH3
SCHEMBL5709492 0.77 CHRM4 (0.61) KCNH2
SCHEMBL14389062 0.76 ACHE (0.68) CARM1PRMT6SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1298636 0.76 SIGMAR1 (0.69) SIGMAR1KCNH2
SCHEMBL1332050 0.76 KCNH2 (0.64) SIGMAR1KCNH2
SCHEMBL13149598 0.75 DRD4 (0.60) SIGMAR1KCNH2

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 9 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 disclosed
EP-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
EP-1678154-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-07-12 EP disclosed
EP-1673059-A2 ALKANOL AND CYCLOALKANOL-AMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
EP-1673090-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed