SCHEMBL9528451

SCHEMBL9528451

C=CCNC(=O)Oc1cc2c(cc1Cl)CCN(C)CC2c1cccc2ccoc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 14/20 0.61
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD5 P21918 7/20 0.40
DRD2 P14416 5/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.36
ADRB2 P07550 1/20 0.36
GPR183 P32249 1/20 0.36

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
SCHEMBL9530499 0.88 DRD1 (0.62) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9772045 0.88 DRD1 (0.61) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9528456 0.86 DRD1 (0.43) DRD1DRD5DRD2CYP1A2CYP2D6
SCHEMBL9529162 0.86 DRD1 (0.65) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529544 0.85 DRD1 (0.68) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529675 0.84 DRD1 (0.65) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9771968 0.84 DRD1 (0.62) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9771934 0.82 DRD1 (0.58) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9529161 0.81 DRD1 (0.61) DRD1SLC6A2SLC6A4SLC6A3DRD5
SCHEMBL9528070 0.81 DRD1 (0.57) 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 7 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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 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
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
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