SCHEMBL7441864

SCHEMBL7441864

CCCN(C(=O)CC)C1COc2c(cccc2[N+](=O)[O-])C1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
DRD3 P35462 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL7445601 0.82 DRD2 (0.42) DRD2DRD3HTR7
SCHEMBL7444794 0.82 DRD2 (0.52) DRD2DRD3HTR7
SCHEMBL7439814 0.77 DRD2 (0.44) DRD2DRD3HTR7
SCHEMBL7449574 0.77 DRD3 (0.44) DRD2DRD3HTR7
SCHEMBL7432736 0.73 DRD3 (0.57) DRD2DRD3
SCHEMBL7433347 0.71 PNMT (0.47)
SCHEMBL8311861 0.70 DRD3 (0.47) DRD2DRD3HTR7
SCHEMBL7447925 0.69 ALDH1A1 (0.40) DRD2DRD3HTR7
SCHEMBL8691953 0.68 DRD3 (0.42) DRD2DRD3HTR7
SCHEMBL7443025 0.68 DRD3 (0.42) DRD2DRD3HTR7

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
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed