SCHEMBL9536612

SCHEMBL9536612

Cc1nc(Cn2c(OC3CCN(C(=O)O)CC3)nc3ccccc32)cs1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
FEN1 P39748 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
SLC5A7 Q9GZV3 1/20 0.38
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
HRH3 Q9Y5N1 6/20 0.37
HTR2B P41595 1/20 0.37
BRD4 O60885 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL8138397 0.91 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8132057 0.73 KDM4E (0.52) KMT2AMEN1
SCHEMBL9535563 0.72 TP53 (0.51) CHRM1KCNH2
SCHEMBL9535375 0.71 HRH1 (0.55) CHRM1KCNH2
SCHEMBL8566268 0.70 ALDH1A1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8137091 0.69 LMNA (0.46) KMT2AMEN1
SCHEMBL209236 0.68 KMT2A (0.65) FEN1KMT2A
SCHEMBL8121575 0.67 SSTR5 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7629465 0.67 ALDH1A1 (0.46) KCNH2
SCHEMBL10548426 0.67 TP53 (0.49) CHRM1KCNH2

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-0539420-A1 NOVEL SUBSTITUTED THIAZOLYL AND SUBSTITUTED PYRIDINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed