SCHEMBL9537069

SCHEMBL9537069

CCOCCn1c(CC2CCN(CCc3c(C)nc4sccn4c3=O)CC2)nc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.43
HTR1A P08908 5/20 0.43
DRD2 P14416 4/20 0.43
HTR2A P28223 4/20 0.43
LMNA P02545 3/20 0.43
CYP2D6 P10635 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALOX15 P16050 2/20 0.43
DGKA P23743 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
PKM P14618 2/20 0.43
HTR2C P28335 2/20 0.43

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
SCHEMBL9538894 0.84 SLC6A9 (0.44) HRH1HTR1ADRD2HTR2ALMNA
SCHEMBL9535554 0.77 SLC6A9 (0.52) HRH1LMNACYP2D6TSHRSMN1; SMN2
Oxalic Acid SCHEMBL9538798 0.77 SLC6A9 (0.47) HRH1HTR2ALMNASMN1; SMN2MEN1
Oxalic Acid SCHEMBL9538801 0.77 SLC6A9 (0.47) HRH1HTR2ALMNASMN1; SMN2MEN1
SCHEMBL9685843 0.76 SLC6A9 (0.53) HRH1HTR1ADRD2HTR2ALMNA
SCHEMBL9538919 0.76 SLC6A9 (0.43) HRH1LMNAMAPTSMN1; SMN2TP53
Oxalic Acid SCHEMBL9535426 0.75 SLC6A9 (0.49) HRH1LMNASMN1; SMN2ALDH1A1TP53
Oxalic Acid SCHEMBL9535422 0.75 SLC6A9 (0.49) HRH1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL8567881 0.75 MAPT (0.44) HRH1HTR1ADRD2HTR2ALMNA
SCHEMBL9535795 0.75 SLC6A9 (0.45) HRH1LMNAMAPTSMN1; SMN2TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed