SCHEMBL8104752

SCHEMBL8104752

c1ccc2c(CC(CCc3c[nH]cn3)OC(CCc3c[nH]cn3)Cc3cccc4ccccc34)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
CTNNB1 P35222 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
SLC6A4 P31645 1/20 0.34
PIN1 Q13526 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8106159 0.86 CNR1 (0.39) CNR1CNR2ADRA2AADRA2BADRA2C
SCHEMBL7974330 0.75 CNR1 (0.41) CNR1CNR2ADRA2AADRA2BADRA2C
SCHEMBL4382490 0.75 FFAR1 (0.36) LMNASMN1; SMN2
SCHEMBL7625090 0.73 NLN (0.46)
SCHEMBL7625078 0.73 NLN (0.46)
SCHEMBL4382430 0.73 CTSK (0.33)
D-Histidine SCHEMBL5963112 0.73 MAPT (0.48) CTNNB1LMNACYP1A2
SCHEMBL7972597 0.72 HTR1B (0.51) SLC6A4
SCHEMBL8104754 0.72 CNR2 (0.35) CNR1CNR2ADRA2AADRA2BADRA2C
SCHEMBL8900107 0.70 HRH4 (0.41) CTNNB1

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
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed