SCHEMBL9528077

SCHEMBL9528077

CCC(C)C(NC(=O)Oc1cc2c(cc1Cl)CCN(C)CC2c1ccc2cccoc1-2)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.40
PTPN11 Q06124 1/20 0.39
DRD5 P21918 5/20 0.37
ALDH1A1 P00352 1/20 0.37
DRD2 P14416 3/20 0.34
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 2/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34
GPR183 P32249 1/20 0.34
APLNR P35414 1/20 0.34

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
SCHEMBL9529141 0.90 DRD1 (0.43) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9771938 0.89 DRD1 (0.41) DRD1PTPN11DRD5DRD2CYP2D6
SCHEMBL9529171 0.88 DRD1 (0.45) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9528070 0.87 DRD1 (0.57) DRD1PTPN11DRD5DRD2CYP2D6
SCHEMBL9771954 0.82 DRD1 (0.40) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9530502 0.82 DRD1 (0.45) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9529550 0.81 DRD1 (0.47) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9772051 0.81 DRD1 (0.44) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9528456 0.81 DRD1 (0.43) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL9771971 0.80 DRD1 (0.44) DRD1DRD5DRD2CYP2D6CYP1A2

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-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
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