SCHEMBL8039432

SCHEMBL8039432

CCCCN(c1ccncc1)c1csc2cc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
CRHR1 P34998 9/20 0.35
ROCK1 Q13464 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GCGR P47871 2/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAPK14 Q16539 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
Hydrochloric Acid SCHEMBL9425165 0.99 SLC6A2 (0.37) SLC6A2CRHR1ROCK1MAPTMAPK1
SCHEMBL8056707 0.93 SLC6A2 (0.41) SLC6A2CRHR1ROCK1MAPTGCGR
Hydrochloric Acid SCHEMBL8038855 0.92 SLC6A2 (0.40) SLC6A2CRHR1ROCK1MAPTGCGR
SCHEMBL8050470 0.88 ROCK1 (0.37) SLC6A2ROCK1MAPTMAPK1KDM4E
Hydrochloric Acid SCHEMBL8051640 0.86 ROCK1 (0.36) SLC6A2ROCK1MAPTMAPK1KDM4E
SCHEMBL8050077 0.86 MAPT (0.33) SLC6A2MAPTMAPK1NPSR1GCGR
SCHEMBL8054079 0.85 CRHR1 (0.37) SLC6A2CRHR1ROCK1GCGRHTT
Hydrochloric Acid SCHEMBL8056275 0.85 MAPT (0.33) SLC6A2MAPTMAPK1NPSR1GCGR
Hydrochloric Acid SCHEMBL8052106 0.84 CRHR1 (0.36) SLC6A2CRHR1ROCK1GCGRHTT
SCHEMBL9425844 0.83 NR1H2 (0.37) SLC6A2MAPTMAPK1NPSR1LATS1

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