SCHEMBL17166204

SCHEMBL17166204

CCc1ccc(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(CC)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PYCR1 P32322 3/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 1/20 0.39
NPC1 O15118 1/20 0.39
MAOB P27338 1/20 0.38
CYP2A6 P11509 2/20 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
SCHEMBL12514357 1.00 TAAR1 (0.45) TAAR1LPLLIPGALDH1A1KDM4E
SCHEMBL25460070 0.94 TAAR1 (0.41) TAAR1LPLLIPGALDH1A1KDM4E
SCHEMBL4623315 0.88 ALDH1A1 (0.47) TAAR1ALDH1A1KDM4EMAPTHPGD
SCHEMBL12304289 0.87 LPL (0.52) TAAR1LPLLIPGALDH1A1HPGD
SCHEMBL149101 0.87
SCHEMBL3896543 0.87 LPL (0.52) TAAR1LPLLIPGALDH1A1HPGD
SCHEMBL12514818 0.87 MEN1 (0.51) TAAR1ALDH1A1MAPTHTTMAPK1
SCHEMBL4847965 0.85 TP53 (0.48) TAAR1LPLLIPGALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL958345 0.85 TP53 (0.48) TAAR1LPLLIPGALDH1A1TP53
Bromide SCHEMBL8209119 0.82 TP53 (0.46) TAAR1LPLLIPGALDH1A1TP53

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-9156939-B2 Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
US-9156939-B2 Polymer containing aldehyde groups, reaction and crosslinking of this polymer, crosslinked polymer, and electroluminescent device comprising this polymer MERCK PATENT GMBH (DE) 2015-10-13 US disclosed