SCHEMBL8054066

SCHEMBL8054066

O=C(CCCN(c1ccncc1)c1csc2c(Cl)cccc12)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNA3 P22001 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTR7 P34969 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 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
Hydrochloric Acid SCHEMBL8056508 0.99 DRD2 (0.37) DRD2NPC1RAB9AKCNA3L3MBTL1
SCHEMBL8051800 0.81 NPC1 (0.37) DRD2NPC1RAB9AKCNA3L3MBTL1
SCHEMBL8050574 0.81 CYP19A1 (0.32) NPSR1LMNAHTT
Hydrochloric Acid SCHEMBL8050310 0.80 CYP19A1 (0.31) NPSR1LMNAHTT
Fumaric Acid SCHEMBL8053540 0.77 MDM2 (0.35) DRD2NPC1RAB9AKCNA3L3MBTL1
Fumaric Acid SCHEMBL8053531 0.77 MDM2 (0.35) DRD2NPC1RAB9AKCNA3L3MBTL1
SCHEMBL8053626 0.76 SLC6A2 (0.39) LMNASMN1; SMN2POLBHTR1ADRD3
SCHEMBL8056249 0.75 HTR2A (0.38) DRD2HTR7HTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL8051780 0.75 SLC6A2 (0.39) LMNASMN1; SMN2POLBHTR1ADRD3
Hydrochloric Acid SCHEMBL8049912 0.75 HTR2A (0.37) DRD2HTR7HTR1AHTR2AHTR2C

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-6022880-A Substituted pyridylamino indoles HOECHST MARION ROUSSEL, INC. (US) 2000-02-08 US disclosed
US-5328920-A Alleviating memory dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-07-12 US disclosed