SCHEMBL8564837

SCHEMBL8564837

C1=CN(CCN2CCCCC2)CNC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
ACHE P22303 2/20 0.33
CXCR4 P61073 2/20 0.32
TERT O14746 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH1 P35367 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL8565322 0.84 KEAP1 (0.41) HRH3ACHESIGMAR1CHRM2CHRM1
SCHEMBL28213261 0.72
SCHEMBL4903211 0.72 CXCR4 (0.37) HRH3CXCR4TERTSIGMAR1LMNA
SCHEMBL28199430 0.71
SCHEMBL5551787 0.69
SCHEMBL28078047 0.68 CXCR4 (0.60) HRH3CXCR4SIGMAR1CHRM2CHRM1
SCHEMBL6913246 0.68 CXCR4 (0.60) HRH3CXCR4SIGMAR1CHRM2CHRM1
SCHEMBL1914465 0.68 CXCR4 (0.60) HRH3CXCR4SIGMAR1CHRM2CHRM1
SCHEMBL28131682 0.67
SCHEMBL7998614 0.67 CXCR4 (0.48) HRH3CXCR4SIGMAR1LMNACHRM2

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-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed