SCHEMBL4649570

SCHEMBL4649570

Clc1ccccc1-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.62
CNR2 P34972 1/20 0.59
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
DRD4 P21917 2/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
CYP2A6 P11509 1/20 0.53
MC4R P32245 1/20 0.53
MAOB P27338 2/20 0.53
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8070873 0.87 PKM (0.56) SIGMAR1CNR2LMNADRD2DRD3
SCHEMBL27966164 0.85 SIGMAR1 (0.62) SIGMAR1CNR2MAOBKMT2A
SCHEMBL4488918 0.85 HRH3 (0.67) CNR2KMT2ASMN1; SMN2
SCHEMBL7695910 0.82 ACHE (0.72) KMT2A
SCHEMBL4651287 0.82 CNR2 (0.64) SIGMAR1CNR2LMNAPOLBMC4R
SCHEMBL16226080 0.81 SIGMAR1 (0.78) SIGMAR1LMNAPOLBDRD4MC4R
SCHEMBL4475494 0.80 CNR2 (0.54) SIGMAR1CNR2
SCHEMBL4475484 0.80 CNR2 (0.54) SIGMAR1CNR2
SCHEMBL3041365 0.80 S1PR5 (0.68) SIGMAR1CNR2
SCHEMBL13708759 0.79 CNR2 (0.70) SIGMAR1CNR2KMT2A

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