SCHEMBL7439814

SCHEMBL7439814

CCCN(C(=O)CC)C1COc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.43
TP53 P04637 1/20 0.43
HTR7 P34969 1/20 0.42

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
SCHEMBL8311861 0.84 DRD3 (0.47) DRD2DRD3HTR7
SCHEMBL7432736 0.83 DRD3 (0.57) DRD2DRD3
SCHEMBL7444794 0.81 DRD2 (0.52) DRD2DRD3HTR7
SCHEMBL7449574 0.79 DRD3 (0.44) DRD2DRD3HTR7
SCHEMBL9441763 0.79 DRD3 (0.65) DRD2DRD3HTR7
Hydrochloric Acid SCHEMBL10701294 0.78 DRD3 (0.63) DRD2DRD3HTR7
SCHEMBL7441864 0.77 DRD2 (0.48) DRD2DRD3HTR7
SCHEMBL9599077 0.72 TP53 (0.43) TP53
SCHEMBL8316705 0.72 DRD2 (0.40) DRD2
SCHEMBL8316702 0.72 DRD2 (0.40) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510068-B1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS UPJOHN CO (US) 1999-04-14 EP disclosed
US-5650427-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1997-07-22 US disclosed
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
US-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed
US-5288748-A Antidepressants THE UPJOHN COMPANY (US) 1994-02-22 US disclosed
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed