SCHEMBL9529544

SCHEMBL9529544

CN1CCc2cc(Cl)c(OC(=O)N(C)C)cc2C(c2cccc3ccoc23)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 13/20 0.68
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
DRD5 P21918 6/20 0.44
DRD2 P14416 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
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
SCHEMBL9529675 0.91 DRD1 (0.65) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529161 0.90 DRD1 (0.61) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529162 0.87 DRD1 (0.65) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL10691047 0.85 DRD1 (0.75) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9771968 0.85 DRD1 (0.62) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9530499 0.85 DRD1 (0.62) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9528451 0.85 DRD1 (0.61) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9772045 0.85 DRD1 (0.61) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529550 0.84 DRD1 (0.47) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9532321 0.83 DRD1 (0.59) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331130-B1 CARBAMIC ACID ESTER OF SUBSTITUTED 7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES NOVO NORDISK A/S (DK) 1993-09-29 EP claimed
US-5017571-A Prodrugs, mental disorders NOVO NORDISK A/S (DK) 1991-05-21 US claimed
EP-0331130-A1 Carbamic acid ester of substituted 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines NOVO NORDISK A/S (DK) 1989-09-06 EP claimed
JP-1254679-A None JP disclosed
EP-0331130-B1 CARBAMIC ACID ESTER OF SUBSTITUTED 7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES NOVO NORDISK A/S (DK) 1993-09-29 EP disclosed
US-5017571-A Prodrugs, mental disorders NOVO NORDISK A/S (DK) 1991-05-21 US disclosed
JP-H01254679-A CHARBAMIC ACID ESTER OF SUBSTITUTED 7-HYDROXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE NOVO IND AS 1989-10-11 JP disclosed
EP-0331130-A1 Carbamic acid ester of substituted 7-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepines NOVO NORDISK A/S (DK) 1989-09-06 EP disclosed