SCHEMBL9017236

SCHEMBL9017236

CCN(CC)c1ccc(C(=CC=Cc2ccc(C=CC=C(c3ccc(N(CC)CC)cc3)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)cc2)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 8/20 0.48
MAPT P10636 7/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 4/20 0.48
MAPK1 P28482 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MITF O75030 1/20 0.48
RAD52 P43351 1/20 0.48
CYP2C19 P33261 2/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 3/20 0.42
ALOX12 P18054 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL6856526 0.89 ESRRG (0.49) CNR2ALDH1A1MAPTKDM4ELMNA
SCHEMBL6856524 0.89 ESRRG (0.49) CNR2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9017201 0.88 ALDH1A1 (0.51) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL9017203 0.88 ALDH1A1 (0.51) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL7861988 0.86 TSHR (0.57) CNR2TSHRALDH1A1MAPTKDM4E
SCHEMBL4386473 0.86 TSHR (0.57) CNR2TSHRALDH1A1MAPTKDM4E
SCHEMBL9017243 0.86 ALDH1A1 (0.43) CNR2ALDH1A1MAPTKDM4ELMNA
SCHEMBL9017228 0.83 TSHR (0.53) CNR2TSHRALDH1A1MAPTKDM4E
SCHEMBL9017226 0.82 APP (0.50) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL14256373 0.80 TSHR (0.53) CNR2TSHRALDH1A1MAPTKDM4E

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