SCHEMBL9404246

SCHEMBL9404246

COCOc1cc2c(cc1Cl)CCN(C)CC2c1cccc2ccoc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.69
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
DRD5 P21918 5/20 0.46
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 2/20 0.40
DRD2 P14416 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
GPR183 P32249 1/20 0.40

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
SCHEMBL10691047 0.90 DRD1 (0.75) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9404247 0.84 DRD1 (0.47) DRD1DRD5CYP2D6CYP3A4CYP1A2
SCHEMBL29602922 0.82 DRD1 (1.00) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL5138043 0.82 DRD1 (1.00) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL29507713 0.82 DRD1 (1.00) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529544 0.81 DRD1 (0.68) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529675 0.81 DRD1 (0.65) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9404228 0.81 DRD1 (0.46) DRD1DRD5CYP2D6CYP3A4CYP1A2
SCHEMBL9529162 0.79 DRD1 (0.65) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9530499 0.79 DRD1 (0.62) DRD1SLC6A2SLC6A4SLC6A3DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383247-B1 Benzazepines with antidopaminergic activity NOVO NORDISK AS (DK) 1994-08-03 EP claimed
US-5079243-A Nervous System Disorders, Antidopaminergic Effect NOVO NORDISK A/S (DK) 1992-01-07 US claimed
EP-0383247-A1 Benzazepines with antidopaminergic activity NOVO NORDISK A/S (DK) 1990-08-22 EP claimed
EP-0383247-B1 Benzazepines with antidopaminergic activity NOVO NORDISK AS (DK) 1994-08-03 EP disclosed
US-5079243-A Nervous System Disorders, Antidopaminergic Effect NOVO NORDISK A/S (DK) 1992-01-07 US disclosed
EP-0383247-A1 Benzazepines with antidopaminergic activity NOVO NORDISK A/S (DK) 1990-08-22 EP disclosed