SCHEMBL13620641

SCHEMBL13620641

O=CC1(N2CCC(F)(F)C2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.34
CNR2 P34972 3/20 0.33
CHRNA7 P36544 2/20 0.33
ALPL P05186 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPBWR1 P48145 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
SPR P35270 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1986508 0.88 CNR1 (0.45) CNR1CNR2CHRNA7ALDH1A1LMNA
SCHEMBL1989388 0.84 CNR1 (0.49) CNR1CNR2CHRNA7ALDH1A1LMNA
SCHEMBL1985064 0.82 CNR1 (0.45) CNR1CNR2CHRNA7ALDH1A1NPBWR1
SCHEMBL1985957 0.81 CNR1 (0.44) CNR1CNR2CHRNA7ALDH1A1SPR
SCHEMBL1987486 0.80 CNR1 (0.49) CNR1CNR2CHRNA7ALDH1A1LMNA
SCHEMBL1985657 0.79 CNR1 (0.45) CNR1CNR2CHRNA7ALDH1A1LMNA
SCHEMBL1985005 0.79 CNR1 (0.49) CNR1CNR2CHRNA7ALDH1A1LMNA
SCHEMBL1985692 0.78 CNR1 (0.41) CNR1CHRNA7ALDH1A1
SCHEMBL1986377 0.78 CNR1 (0.40) CNR1CNR2CHRNA7ALPLCYP46A1
SCHEMBL1986178 0.78 CNR1 (0.42) CNR1CNR2CHRNA7ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141532-A2 PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-11-26 WO disclosed