SCHEMBL8318446

SCHEMBL8318446

CCCN(CCC)C1CCc2c([N+](=O)[O-])ccc(Cl)c2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
HTR7 P34969 3/20 0.48
HTR1D P28221 1/20 0.46
DRD2 P14416 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.45
PMP22 Q01453 2/20 0.45
GLA P06280 1/20 0.45
APEX1 P27695 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL10639140 0.84 DRD2 (0.58) HTR1ADRD2DRD4DRD3
SCHEMBL8317710 0.84 VCAM1 (0.37) HTR1ADRD2DRD1
SCHEMBL8315422 0.83 HTR1A (0.53) HTR1AHTR7HTR1DDRD2CYP1A2
SCHEMBL9862321 0.76 DRD2 (0.71) HTR1AHTR7HTR1DDRD2CYP1A2
Hydrochloric Acid SCHEMBL9424658 0.75 LMNA (0.72) HTR1AHTR7HTR1DDRD2CYP1A2
SCHEMBL8315435 0.72 HTR1A (0.71) HTR1AHTR7HTR1DDRD2CYP1A2
SCHEMBL8783307 0.71 DRD2 (0.58) HTR1AHTR7HTR1DDRD2CYP1A2
Bromide SCHEMBL9449301 0.70 DRD2 (0.56) HTR1AHTR7HTR1DDRD2CYP1A2
SCHEMBL10894722 0.70 DRD2 (0.63) HTR1AHTR1DDRD2DRD1DRD4
Bromide SCHEMBL10894914 0.70 DRD2 (0.66) HTR1AHTR7DRD2LMNAKMT2A

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 6 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-5461061-A Antidepressants WIKSTROM HAKAN V (NL) 1995-10-24 US 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