SCHEMBL6985561

SCHEMBL6985561

CC(F)c1cccc(C2OCCO2)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRNA7 P36544 1/20 0.33
IDH1 O75874 1/20 0.31
NSD2 O96028 1/20 0.31
CASP6 P55212 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
SCHEMBL6985396 0.86 HTR1A (0.43) HTR1ADRD2DRD4KCNH2IDH1
SCHEMBL6984191 0.86 CHRNA7 (0.43) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL6986202 0.83 CHRNA7 (0.33) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL1854614 0.73 CCR1 (0.46) HTR1ADRD2DRD4KCNH2NSD2
SCHEMBL6854102 0.73 DRD4 (0.38) HTR1ADRD2DRD4NSD2CASP6
SCHEMBL7029297 0.72 NSD2 (0.33) NSD2CASP6
SCHEMBL25391347 0.71 GABRA1 (0.32)
SCHEMBL7026337 0.71 NSD2 (0.32) NSD2CASP6
SCHEMBL4346655 0.69 CHRNA7 (0.38) HTR1ADRD2DRD4KCNH2CHRNA7
SCHEMBL30303121 0.69 NSD2 (0.31) NSD2CASP6

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-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO disclosed