SCHEMBL3687639

SCHEMBL3687639

CCC(O)CCN(C)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41
MAPT P10636 2/20 0.34
SLC6A2 P23975 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8281666 0.75 CHRM5 (0.52) CHRM5CHKASLC6A2
Hydrochloric Acid SCHEMBL5395464 0.74 CHRM5 (0.50) CHRM5CHKASLC6A2
SCHEMBL1283842 0.74 CHRM5 (0.50) CHRM5CHKAMAPT
SCHEMBL24240041 0.72 CHRM5 (0.37) CHRM5CHKAMAPTSLC6A2KDM4E
SCHEMBL13463985 0.72 MAPT (0.51) CHRM5CHKAMAPTSLC6A2KDM4E
Hydrochloric Acid SCHEMBL6266711 0.72 CHRM5 (0.48) CHRM5CHKAMAPT
SCHEMBL14409566 0.71 CHRM5 (0.52) CHRM5CHKAMAPTSLC6A2
SCHEMBL1036118 0.71 CHRM5 (0.56) CHRM5CHKAMAPTSLC6A2
SCHEMBL7328519 0.71 CHRM5 (0.46) CHRM5CHKAMAPTKDM4E
SCHEMBL7328510 0.71 CHRM5 (0.46) CHRM5CHKAMAPTSLC6A2

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
US-20100167069-A1 PYRIDINE GROUP-CONTAINING ELECTROCOAT RESIN BASF CORPORATION (US) 2010-07-01 US disclosed