SCHEMBL9017216

SCHEMBL9017216

CCCCN(CCCC)c1ccc(C(=C/C=C/c2ccc(/C=C/C=C(c3ccc(N(CCCC)CCCC)cc3)c3ccc(N(CCCC)CCCC)cc3)cc2)c2ccc(N(CCCC)CCCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
EGFR P00533 2/20 0.43
ERBB2 P04626 2/20 0.43
INSR P06213 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9017218 1.00 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9017203 0.84 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9017201 0.84 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7750937 0.84 POLB (0.41) ATG4BMEN1KMT2AALDH1A1MAPT
SCHEMBL7750934 0.84 POLB (0.41) ATG4BMEN1KMT2AALDH1A1MAPT
SCHEMBL6810830 0.81 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9915629 0.81 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3045309 0.81 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3045310 0.81 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9017250 0.80 EGFR (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486441-A CHARGE TRANSPORT TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-01-23 US disclosed
US-5463128-A Charge transporting material TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-10-31 US disclosed