SCHEMBL7439600

SCHEMBL7439600

COC(=O)c1cccc2c1CCC1NCCCC21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.65
DRD2 P14416 3/20 0.62
DRD4 P21917 2/20 0.49
DRD3 P35462 1/20 0.49
HTR5A P47898 1/20 0.49
ADRA1A P35348 2/20 0.48
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 0.37
PRPS1 P60891 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
SCHEMBL1950426 0.80 ADRA1A (0.51) HSD11B1DRD2ADRA1AKDM4EALDH1A1
SCHEMBL1950428 0.80 ADRA1A (0.51) HSD11B1DRD2ADRA1AKDM4EALDH1A1
SCHEMBL15139456 0.80 ADRA1A (0.51) HSD11B1DRD2ADRA1AKDM4EALDH1A1
SCHEMBL9964006 0.80 ADRA1A (0.51) HSD11B1DRD2ADRA1AKDM4EALDH1A1
SCHEMBL1870138 0.79 HSD11B1 (1.00) HSD11B1DRD2ADRA1A
SCHEMBL1871835 0.79 HSD11B1 (1.00) HSD11B1DRD2ADRA1A
SCHEMBL15139395 0.79 HSD11B1 (1.00) HSD11B1DRD2ADRA1A
SCHEMBL9964002 0.79 HSD11B1 (1.00) HSD11B1DRD2ADRA1A
SCHEMBL1868061 0.79 HSD11B1 (1.00) HSD11B1DRD2ADRA1A
SCHEMBL1870135 0.79 HSD11B1 (1.00) HSD11B1DRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed