SCHEMBL9149558

SCHEMBL9149558

CCCNCCNCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
SLC6A4 P31645 2/20 0.54
MLNR O43193 1/20 0.54
CACNA1F O60840 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
ABCB1 P08183 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54
MAOA P21397 1/20 0.54
CNR1 P21554 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
KCNA5 P22460 1/20 0.54

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
SCHEMBL9149853 0.93 MLNR (0.55) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9149547 0.90 MLNR (0.51) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9150189 0.90 MLNR (0.54) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9369933 0.89 MLNR (0.57) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9149569 0.84 DRD2 (0.55) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9147766 0.83 KCNH2 (0.59) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9153253 0.83 KCNH2 (0.59) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9150408 0.83 MLNR (0.53) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9149601 0.83 MLNR (0.51) DRD2SLC6A4MLNRCACNA1FNR1I2
SCHEMBL9146213 0.83 MLNR (0.51) DRD2SLC6A4MLNRCACNA1FNR1I2

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 4 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