SCHEMBL9758470

SCHEMBL9758470

CCCN(CCC)C1CCc2cccc(NC=O)c2C1CC

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.50
DRD2 P14416 7/20 0.49

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
SCHEMBL9759260 0.87 DRD2 (0.62) DRD2
SCHEMBL9187345 0.74 HTR1A (0.62) HTR1ADRD2
Hydrochloric Acid SCHEMBL7329361 0.71 DRD2 (0.60) HTR1ADRD2
SCHEMBL9758420 0.70 DRD2 (0.69) DRD2
SCHEMBL9759764 0.70 DRD2 (0.61) DRD2
SCHEMBL8672337 0.69 DRD2 (0.72) HTR1ADRD2
SCHEMBL8672335 0.69 DRD2 (0.72) HTR1ADRD2
SCHEMBL8672340 0.69 DRD2 (0.72) HTR1ADRD2
Hydrochloric Acid SCHEMBL7926859 0.68 DRD2 (0.70) HTR1ADRD2
Hydrochloric Acid SCHEMBL7926863 0.68 DRD2 (0.70) HTR1ADRD2

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
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