SCHEMBL6464552

SCHEMBL6464552

COc1cc(C)c(Cl)cc1-c1cc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCC1.COc1ccc(Cl)cc1-c1cc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 3/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL3921947 0.94 CNR1 (0.46) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL3928554 0.94 CNR1 (0.46) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL3923383 0.86 CNR1 (0.48) CNR1HTR2AHTR2CSLC6A4MAPT
SCHEMBL3931062 0.86 CNR1 (0.56) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL3930525 0.85 PLA2G2A (0.44) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL3928219 0.84 CNR1 (0.44) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL3919181 0.84 CNR1 (0.48) CNR1HTR2AHTR2CSLC6A4MAPT
SCHEMBL3920985 0.84 CNR1 (0.50) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL13602539 0.82 CNR1 (0.47) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL3916522 0.82 CNR1 (0.51) CNR1HTR2AHTR2CSLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed