SCHEMBL4723257

SCHEMBL4723257

[CH2]C(C)CN1CCC(CCCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
CYP2D6 P10635 1/20 0.50
SLC18A3 Q16572 1/20 0.50
CCR5 P51681 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
CCR3 P51677 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46

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
SCHEMBL25758219 0.80 SLC18A3 (0.55) HRH3CYP2D6SLC18A3CCR5CARM1
SCHEMBL7449796 0.79 SIGMAR1 (0.74) HRH3CYP2D6SIGMAR1CARM1PRMT6
SCHEMBL83059 0.79 SIGMAR1 (0.69) HRH3CYP2D6SIGMAR1CARM1PRMT6
SCHEMBL17262668 0.79 DRD2 (0.68) SIGMAR1CCR3DRD2HTR2AHTR2C
SCHEMBL7444256 0.78 SIGMAR1 (0.72) HRH3CYP2D6SIGMAR1CCR3
Hydrochloric Acid SCHEMBL7451916 0.78 SIGMAR1 (0.72) HRH3CYP2D6SIGMAR1CCR3
SCHEMBL7446629 0.78 SIGMAR1 (0.72) HRH3CYP2D6SIGMAR1CCR3
SCHEMBL7444410 0.78 SIGMAR1 (0.72) HRH3CYP2D6SIGMAR1CCR3
SCHEMBL7449513 0.78 SIGMAR1 (0.72) HRH3CYP2D6SIGMAR1CCR3
SCHEMBL7437079 0.78 SIGMAR1 (0.72) HRH3CYP2D6SIGMAR1CCR3

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-2004613-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-12-24 EP disclosed
WO-2007115077-A2 BICYCLIC BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed