SCHEMBL9150686

SCHEMBL9150686

CS(=O)(=O)c1ccc2c(C3CCNCC3)cn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
HTR6 P50406 4/20 0.51
HTR1A P08908 1/20 0.46

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
SCHEMBL9150377 0.83 KCNH2 (0.64) KCNH2HTR6HTR1A
SCHEMBL9150726 0.81 KCNH2 (0.61) KCNH2HTR6
SCHEMBL9146788 0.81 KCNH2 (0.64) KCNH2HTR6
SCHEMBL9150576 0.81 KCNH2 (0.82) KCNH2HTR6HTR1A
SCHEMBL9153001 0.80 KCNH2 (0.63) KCNH2HTR6
SCHEMBL8640342 0.78 KCNH2 (0.81) KCNH2HTR6HTR1A
SCHEMBL9371607 0.75
SCHEMBL9150811 0.74 HTR6 (0.60) HTR6HTR1A
SCHEMBL2739092 0.74 KCNH2 (1.00) KCNH2HTR6HTR1A
SCHEMBL6599893 0.74 KCNH2 (0.74) KCNH2HTR6HTR1A

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