SCHEMBL9526969

SCHEMBL9526969

O=C1C2C3CCC(C4CC43)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.76
HTR1A P08908 1/20 0.76
DRD4 P21917 1/20 0.76

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
SCHEMBL9527937 0.95 DRD2 (0.76) DRD2HTR1ADRD4
SCHEMBL9492470 0.89 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL20043775 0.89 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL10663073 0.88 DRD2 (0.72) DRD2HTR1ADRD4
SCHEMBL9527393 0.87 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL13534443 0.87 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL17264052 0.87 DRD2 (0.71) DRD2HTR1ADRD4
SCHEMBL9528185 0.87 DRD2 (0.71) DRD2HTR1ADRD4
Tandospirone SCHEMBL22693814 0.86 DRD2 (1.00) DRD2HTR1ADRD4
Tandospirone SCHEMBL22381099 0.86 DRD2 (1.00) DRD2HTR1ADRD4

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-0220873-B1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PROD (US) 1993-11-24 EP claimed
US-4957913-A N-((4-ARYLPIPERAZINO)ALKYL) SUBSTITTUTED AMERICAN HOME PRODUCTS CORP. (US) 1990-09-18 US claimed
US-4892943-A ANTIPSYCHOTIC, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-09 US claimed
EP-0220873-A1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-06 EP claimed
US-4957913-A N-((4-ARYLPIPERAZINO)ALKYL) SUBSTITTUTED AMERICAN HOME PRODUCTS CORP. (US) 1990-09-18 US disclosed