SCHEMBL4649543

SCHEMBL4649543

Clc1ccc(Cl)c(-c2ccc(CN3CCNC(Cc4ccccc4)C3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
CNR2 P34972 3/20 0.45
ALDH1A1 P00352 2/20 0.43
DRD4 P21917 4/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SIGMAR1 Q99720 5/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TACR1 P25103 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.38
CXCR2 P25025 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
SCHEMBL4474488 1.00 LTA4H (0.48) LTA4HCNR2ALDH1A1DRD4DRD2
SCHEMBL4477113 1.00 LTA4H (0.48) LTA4HCNR2ALDH1A1DRD4DRD2
SCHEMBL4472810 0.89 CNR2 (0.58) LTA4HCNR2ALDH1A1SIGMAR1TACR1
SCHEMBL13708823 0.89 LTA4H (0.47) LTA4HCNR2ALDH1A1DRD4DRD2
SCHEMBL4473200 0.89 CNR2 (0.58) LTA4HCNR2ALDH1A1SIGMAR1TACR1
SCHEMBL4467570 0.89 LTA4H (0.47) LTA4HCNR2ALDH1A1DRD4DRD2
SCHEMBL4469949 0.89 CNR2 (0.58) LTA4HCNR2ALDH1A1SIGMAR1TACR1
SCHEMBL4474543 0.89 CNR2 (0.54) LTA4HCNR2ALDH1A1SIGMAR1ATM
SCHEMBL4472251 0.89 CNR2 (0.54) LTA4HCNR2ALDH1A1SIGMAR1ATM
SCHEMBL4472249 0.89 CNR2 (0.54) LTA4HCNR2ALDH1A1SIGMAR1ATM

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed