SCHEMBL4622630

SCHEMBL4622630

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1CCC1C(CC)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR7 P34969 3/20 0.33
DRD2 P14416 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
DHFR P00374 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP2 O95551 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL3998523 0.87 MEN1 (0.31) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
SCHEMBL7188581 0.85 ALOX15 (0.31) SLC6A4MAPTALDH1A1HPGDMEN1
SCHEMBL5859330 0.84 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
SCHEMBL8613248 0.83 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
SCHEMBL27559648 0.83 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
SCHEMBL4622950 0.82 ALDH1A1 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
Hydrochloric Acid SCHEMBL4065888 0.82 HTR7 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6MAPT
SCHEMBL135958 0.81 HTR7 (0.31) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
Hydrochloric Acid SCHEMBL4659081 0.81 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL3996671 0.81 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6MAPT

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
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed