SCHEMBL8613248

SCHEMBL8613248

CCC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf]

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
HTR7 P34969 3/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 2/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TDP2 O95551 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 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
SCHEMBL5859330 0.84 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
SCHEMBL27559648 0.83 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
SCHEMBL4622630 0.83 SLC6A4 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
Hydrochloric Acid SCHEMBL4065888 0.82 HTR7 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
SCHEMBL28012310 0.81 ALDH1A1 (0.36) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
SCHEMBL5836023 0.81 ALOX15 (0.35) SLC6A4SLC6A2SLC6A3HTR7KDM4E
Hydrochloric Acid SCHEMBL2522717 0.81 HTR7 (0.33) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
SCHEMBL4065890 0.80 HTR7 (0.32) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
SCHEMBL2522719 0.80 PTPN1 (0.33) SLC6A4SLC6A2SLC6A3CYP2D6HTR7
Hydrochloric Acid SCHEMBL7946003 0.79 ALDH1A1 (0.35) SLC6A4SLC6A2SLC6A3CYP2D6HTR7

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
EP-0837866-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1998-04-29 EP disclosed
WO-1997003081-A1 PROCESS FOR CONVERTING THE ACHIRAL MESO FORM OR THE RACEMATE OF AN ANSA-METALLOCENE COMPLEX OR MIXTURES THEREOF INTO ONE OF ITS ENANTIOMERS BASF AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed