SCHEMBL9531091

SCHEMBL9531091

COC(=O)CN(C)C(=O)Oc1cc2c(cc1Cl)CCN(C)CC2c1cccc2c1OCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 14/20 0.42
DRD5 P21918 7/20 0.42
DRD2 P14416 5/20 0.38
DRD4 P21917 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 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 0.37
ADRB2 P07550 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GLP1R P43220 1/20 0.37

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
SCHEMBL9531885 0.91 DRD1 (0.42) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9529343 0.91 DRD1 (0.39) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9529250 0.89 DRD1 (0.44) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9772002 0.88 DRD1 (0.45) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9529247 0.87 DRD1 (0.42) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9529771 0.86 DRD1 (0.42) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9528017 0.86 DRD1 (0.42) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL9772024 0.84 DRD1 (0.40) DRD1DRD5DRD2DRD4CYP2D6
SCHEMBL8911123 0.82 DRD1 (0.55) DRD1DRD5DRD2CYP2D6CYP1A2
SCHEMBL10515954 0.81 DRD1 (0.39) DRD1DRD5DRD2DRD4CYP2D6

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 3 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 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