SCHEMBL14224707

SCHEMBL14224707

CCCCC(C)(C)N(c1ccccc1)c1ccc(C(C)(C)CCC)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
CNR2 P34972 12/20 0.36
CNR1 P21554 3/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL14421604 0.96 CNR2 (0.43) TAAR1CNR2CNR1NR1H2NR1H3
SCHEMBL248252 0.91 CNR2 (0.46) CNR2CNR1
SCHEMBL13294533 0.86 CNR2 (0.42) TAAR1CNR2CNR1NR1H2NR1H3
SCHEMBL44716 0.82 NPC1 (0.38) CNR2CNR1KMT2ATDP1L3MBTL1
SCHEMBL12786796 0.82 ALDH1A1 (0.42) TAAR1CNR2CNR1NR1H2NR1H3
SCHEMBL10174953 0.82 ALDH1A1 (0.42) TAAR1CNR2CNR1NR1H2NR1H3
SCHEMBL14228154 0.82 CNR2 (0.49) CNR2CNR1NR1H2NR1H3KMT2A
SCHEMBL14421605 0.81 CNR2 (0.40) CNR2CNR1ESR2ALDH1A1
SCHEMBL12917872 0.81 TAAR1 (0.36) TAAR1CNR2NR1H2NR1H3MAPT
SCHEMBL2187826 0.80 NPC1 (0.41) CNR2CNR1KMT2ATDP1L3MBTL1

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-20080090102-A1 COMPOUND FOR ORGANIC EL DEVICE AND ORGANIC EL DEVICE SEIKO EPSON CORPORATION (JP) 2008-04-17 US disclosed