SCHEMBL9600934

SCHEMBL9600934

O=C1C2CCC(C2)C(=O)N1CCCCN1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.69
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
HTR3A P46098 9/20 0.57
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL9822980 0.83 HTR1A (0.67) HTR1ADRD2DRD3HTR3AHTR7
SCHEMBL3676077 0.79 HTR1A (0.95) HTR1ADRD2HTR3AHTR7HRH3
SCHEMBL9602546 0.77 HTR1A (0.67) HTR1ADRD2DRD3HTR3AHTR7
SCHEMBL647772 0.76 HTR1A (0.65) HTR1ADRD2DRD3HTR3AHTR7
SCHEMBL3679755 0.76 HTR1A (0.65) HTR1ADRD2DRD3HTR3AHTR7
SCHEMBL9600927 0.75 HTR1A (0.44) HTR1ADRD2HTR7
SCHEMBL9586993 0.75 DRD2 (0.73) HTR1ADRD2
SCHEMBL7993109 0.75 HTR1A (0.61) HTR1ADRD2DRD3HTR3AHTR7
SCHEMBL7993335 0.73 HTR1A (0.62) HTR1ADRD2DRD3HTR3AHRH3
SCHEMBL3683967 0.73 HTR3A (0.80) HTR1AHTR3AHTR7HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP claimed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO claimed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US claimed
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed