SCHEMBL9150837

SCHEMBL9150837

CS(=O)(=O)c1c(C2CCNCC2)c2ccccc2n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.40
REN P00797 2/20 0.39
USP14 P54578 1/20 0.38
KCNH2 Q12809 3/20 0.37
HTR1A P08908 5/20 0.37
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
PTGS2 P35354 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL9150735 0.79 REN (0.39) RENUSP14KCNH2HTR1ASLC6A2
SCHEMBL28216093 0.68 HTR2C (0.44) HTR6KCNH2HTR1ASLC6A2SLC6A4
SCHEMBL5254443 0.66 CYP11B2 (0.46) HTR6KCNH2HTR1ASLC6A2SLC6A4
SCHEMBL2565277 0.66 CCR3 (0.61) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9150686 0.65 KCNH2 (0.58) HTR6KCNH2HTR1A
SCHEMBL29385 0.64 KDM4E (0.67) RENUSP14
SCHEMBL11245466 0.64 SIGMAR1 (0.42) HTR6RENUSP14
SCHEMBL8292301 0.64 HTR2A (0.47) HTR6RENUSP14HTR1ASLC6A2
SCHEMBL24219953 0.63 KDM4E (0.50) HTR6PTGS2
Hydrochloric Acid SCHEMBL6809356 0.63 HTR2C (0.44) HTR6KCNH2HTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457115-A Treating anxiety, depression, sleep disorders, migranes, schizophrenia or Parkinson's disease in humans H. LUNDBECK A/S (DK) 1995-10-10 US disclosed
EP-0465398-B1 Novel indole derivatives LUNDBECK & CO AS H (DK) 1994-12-14 EP disclosed
US-5322851-A Indole derivatives H. LUNDBECK A/S (DK) 1994-06-21 US disclosed
US-5216001-A Central nervous system disorders H. LUNBECK A/S (DK) 1993-06-01 US disclosed
EP-0465398-A2 Novel indole derivatives H. LUNDBECK A/S (DK) 1992-01-08 EP disclosed