SCHEMBL9722378

SCHEMBL9722378

COc1cc2c(cc1OC)[C@H](CN1CCN(c3noc4ccccc34)CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.49
DRD4 P21917 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTR2A P28223 10/20 0.46
HTR1A P08908 6/20 0.46

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
SCHEMBL9722266 0.87 HTR2A (0.49) DRD2HTR2AHTR1A
SCHEMBL9190222 0.83 HTR1A (0.50) DRD2DRD4SIGMAR1HTR2AHTR1A
SCHEMBL9722226 0.80 DRD2 (0.46) DRD2HTR2AHTR1A
SCHEMBL9722262 0.78 DRD2 (0.48) DRD2DRD4SIGMAR1HTR2AHTR1A
SCHEMBL9722271 0.75 HTR2A (0.58) DRD2HTR2AHTR1A
SCHEMBL9722277 0.75 HTR2A (0.58) DRD2HTR2AHTR1A
SCHEMBL9187663 0.73 HTR2A (0.53) DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL9722317 0.73 HTR2A (0.52) DRD2HTR2AHTR1A
SCHEMBL9722222 0.71 HTR1A (0.53) DRD2HTR2AHTR1A
SCHEMBL9722281 0.71 HTR1A (0.51) DRD2HTR2AHTR1A

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