SCHEMBL7765417

SCHEMBL7765417

O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 1.00
DRD2 P14416 17/20 1.00
DRD4 P21917 14/20 0.76
HTR1A P08908 2/20 0.76
MEN1 O00255 1/20 0.76
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76
KMT2A Q03164 1/20 0.76
ADRA1A P35348 2/20 0.74
SLC6A2 P23975 1/20 0.69
SLC6A4 P31645 1/20 0.69
ADRA1D P25100 1/20 0.69
ADRA1B P35368 1/20 0.69

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
Hydrochloric Acid SCHEMBL7762608 0.99 DRD3 (0.98) DRD3DRD2DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL7538290 0.98 DRD3 (0.96) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL7344083 0.94 DRD3 (1.00) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL30298993 0.94 DRD3 (1.00) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL7766329 0.94 DRD3 (0.89) DRD3DRD2DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL7762622 0.94 DRD3 (0.88) DRD3DRD2DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL7421290 0.89 DRD3 (0.81) DRD3DRD2DRD4HTR1AMEN1
Hydrochloric Acid SCHEMBL7421291 0.89 DRD3 (0.81) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL7343763 0.89 DRD3 (0.89) DRD3DRD2DRD4HTR1AMEN1
SCHEMBL7762650 0.86 DRD3 (1.00) DRD3DRD2DRD4HTR1AMEN1

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
EP-0873329-B1 NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-06-06 EP claimed
EP-0873329-A1 NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-10-28 EP disclosed
WO-1997010229-A1 NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1997-03-20 WO disclosed