SCHEMBL6235764

SCHEMBL6235764

N#Cc1ccc(N2CCC(Cc3ccccc3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.58
CHRM4 P08173 3/20 0.57
LMNA P02545 3/20 0.53
TSHR P16473 3/20 0.53
TNF P01375 1/20 0.51
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
CHRM2 P08172 2/20 0.51
RET P07949 2/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PANK3 Q9H999 1/20 0.48
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL12424419 0.81 GPR119 (0.55) SMOCHRM4L3MBTL1ALDH1A1PANK3
SCHEMBL3323867 0.80 SMN1; SMN2 (0.54) CHRM4LMNATSHRTNFSTAT3
SCHEMBL2776292 0.80 SLC6A2 (0.55) CHRM4LMNATSHRL3MBTL1HTT
SCHEMBL13622620 0.80 KCNH2 (0.55) SMOCHRM4CHRM2CHRM5CHRM1
SCHEMBL1729285 0.77 CHRM4 (0.57) CHRM4CHRM2CHRM5CHRM1PANK3
SCHEMBL10107366 0.76 AVPR1A (0.55) SMOLMNATSHRTNFSTAT3
SCHEMBL31442688 0.76 SMO (0.57) SMOSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL12099334 0.76 GPR119 (0.55) SMOCHRM4RETL3MBTL1ALDH1A1
SCHEMBL9923317 0.76 GPR119 (0.58) SMOL3MBTL1ALDH1A1PANK3GPR119
SCHEMBL1347347 0.76 GPR119 (0.55) SMOL3MBTL1ALDH1A1PANK3GPR119

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed