SCHEMBL7449574

SCHEMBL7449574

CCCN(C(=O)CC)C1COc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.44
PNMT P11086 5/20 0.37
ADRA2A P08913 3/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
AKR1B1 P15121 1/20 0.36
DRD2 P14416 1/20 0.36
HTR7 P34969 1/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7433347 0.84 PNMT (0.47) PNMTADRA2AADRA2BADRA2C
SCHEMBL8311861 0.83 DRD3 (0.47) DRD3DRD2HTR7
SCHEMBL7439814 0.79 DRD2 (0.44) DRD3DRD2HTR7
SCHEMBL7441864 0.77 DRD2 (0.48) DRD3DRD2HTR7
SCHEMBL4108185 0.73 MTNR1A (0.47) PNMTADRA2AADRA2BADRA2CCYP3A4
SCHEMBL7445601 0.71 DRD2 (0.42) DRD3DRD2HTR7
SCHEMBL27330132 0.71 PNMT (0.42) PNMTADRA2AADRA2BADRA2CCHRNB4
SCHEMBL8224769 0.70 PNMT (0.48) PNMTADRA2AADRA2BADRA2CCHRNB4
SCHEMBL7442254 0.70 ALDH1A1 (0.46) PNMTADRA2AADRA2BADRA2C
SCHEMBL28869614 0.69 MAPT (0.50) PNMTADRA2AADRA2BADRA2CCHRNB4

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