SCHEMBL9686691

SCHEMBL9686691

CN1CCN(Cc2nc3cccnc3n2Cc2cscn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A9 P48067 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
STAT1 P42224 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Fumaric Acid SCHEMBL9634523 0.92 CHRM5 (0.52) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9634927 0.81 CHRM5 (0.50) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9634955 0.79 CHRM5 (0.57) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9687078 0.77 CHRM5 (0.50) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9684792 0.76 CHRM5 (0.49) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9687009 0.76 CHRM5 (0.49) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL9686512 0.76 SLC6A9 (0.68) CHRM5CHRM1KMT2AMEN1USP2
SCHEMBL14338849 0.75 KCNH2 (0.49) OPRM1OPRD1LMNACHKAKDM4E
Bromide SCHEMBL10517004 0.74 CSF1R (0.43) OPRM1OPRD1HTTLMNASMN1; SMN2
SCHEMBL9634569 0.72 SLC6A9 (0.54) CHRM5CHRM1KMT2AMEN1USP2

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-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed