SCHEMBL9759895

SCHEMBL9759895

CCCN(CCC)C1CCc2cccc(OCCNC(=O)OCC)c2C1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.67
HTR1A P08908 1/20 0.67
HTR1B P28222 1/20 0.67
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL9759115 0.88 HTR1D (0.70) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9759329 0.88 HTR1D (0.70) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9759083 0.87 HTR1D (0.69) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9759201 0.86 HTR1D (0.67) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9758848 0.86 HTR1A (0.70) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9759423 0.84 HTR1A (0.55) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9759040 0.82 HTR1A (0.57) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL9758948 0.82 HTR1D (0.72) HTR1DHTR1AHTR1BDRD2DRD3
SCHEMBL10643830 0.81 HTR1A (0.82) HTR1DHTR1AHTR1BDRD2DRD3
Hydrochloric Acid SCHEMBL9760000 0.81 HTR1A (0.56) HTR1DHTR1AHTR1BDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047422-A Treating A Disorder Of The Central Nervous System, Cardiovascular System Or Intestinal Tract BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4968679-A DISORDERS OF CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed
US-4873262-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
EP-0272534-A2 8-substituted 2-aminotetralins BAYER AG (DE) 1988-06-29 EP disclosed