SCHEMBL9150292

SCHEMBL9150292

N#Cc1ccc2c(C3=CCNCC3)cn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.50
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
SCN9A Q15858 1/20 0.43
KHK P50053 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL9147029 0.84 HTR6 (0.56) HTR6
SCHEMBL9149428 0.84 HTR6 (0.52) HTR6KHKHTR1ADRD3
SCHEMBL9149499 0.84 HTR6 (0.52) HTR6KHKHTR1ADRD3
SCHEMBL9146903 0.83 HTR6 (0.51) HTR6SCN9AKHKHTR1ADRD3
SCHEMBL9150978 0.82 HTR6 (0.51) HTR6KHKHTR1ADRD3
SCHEMBL9150228 0.82 HTR6 (0.49) HTR6KHKHTR1ADRD3
SCHEMBL10874677 0.82 HTR6 (0.57) HTR6HTR1ADRD3
SCHEMBL9462735 0.82 HTR6 (0.68) HTR6KHKHTR1ADRD3
SCHEMBL9150425 0.81 HTR6 (0.55) HTR6KHKHTR1ADRD3
SCHEMBL9150236 0.80 HTR6 (0.50) HTR6KHKHTR1ADRD3

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