SCHEMBL5824072

SCHEMBL5824072

O=C(O)N1CCC(Cc2nnc3cc(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 2/20 0.38
TACR1 P25103 1/20 0.37
SPR P35270 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13039584 0.88 CNR1 (0.36) MGLLCNR1CNR2
SCHEMBL4403643 0.87 CACNB4 (0.45) MGLLPKMMEN1KMT2ACNR1
SCHEMBL3558149 0.86 CNR1 (0.37) CNR1CNR2
SCHEMBL12993541 0.84 CNR1 (0.38) ALDH1A1CNR1CNR2
SCHEMBL4403256 0.84 CHRM1 (0.40) CNR1CNR2
SCHEMBL3556587 0.83 MGLL (0.52) MGLLPKMMEN1KMT2ACYP2C9
SCHEMBL3557048 0.76 ALOX5 (0.45) ALDH1A1CNR1CNR2
SCHEMBL13593105 0.75 MAT2A (0.41) CNR1CNR2HTTSMN1; SMN2
SCHEMBL3551780 0.75 MET (0.41) ALDH1A1CNR1CNR2
SCHEMBL13593109 0.73 CNR1 (0.50) ALDH1A1LMNACNR1CNR2NPSR1

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-2006138657-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed