SCHEMBL9722174

SCHEMBL9722174

c1ccc2c(c1)C[C@@H]2CCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.61
HTR2A P28223 10/20 0.61
HTR1A P08908 10/20 0.61
DRD3 P35462 5/20 0.61
KCNH2 Q12809 1/20 0.52
HTR7 P34969 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
SCHEMBL9182895 0.93 HTR1A (0.56) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL9188284 0.92 HTR1A (0.57) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL9722367 0.88 DRD2 (0.52) DRD2HTR2AHTR1ADRD3KCNH2
Hydrochloric Acid SCHEMBL9722283 0.87 KDM4E (0.51) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL9722267 0.85 DRD2 (0.49) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL9722222 0.84 HTR1A (0.53) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL9722279 0.80 DRD2 (0.58) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL9722272 0.80 DRD2 (0.58) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL7276066 0.79 HTR1A (0.66) DRD2HTR2AHTR1ADRD3KCNH2
SCHEMBL30579539 0.79 HTR1A (0.80) DRD2HTR2AHTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed