SCHEMBL9722220

SCHEMBL9722220

COc1cc2c(cc1OC)[C@H](C(=O)N1CCN(c3noc4cc(F)ccc34)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.43
HTR2A P28223 7/20 0.43
HTR7 P34969 2/20 0.43
HTR2C P28335 2/20 0.42
HTR1A P08908 3/20 0.40
KCNH2 Q12809 2/20 0.40
ABCB11 O95342 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCKBR P32239 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL9722262 0.88 DRD2 (0.48) DRD2HTR2AHTR1ADRD4SIGMAR1
SCHEMBL9722266 0.80 HTR2A (0.49) DRD2HTR2AHTR7HTR2CHTR1A
SCHEMBL9722264 0.77 DRD2 (0.50) DRD2HTR2AHTR7HTR1AKCNH2
SCHEMBL9722260 0.77 DRD2 (0.50) DRD2HTR2AHTR7HTR1AKCNH2
SCHEMBL5996651 0.69 ABCB11 (0.74) DRD2HTR2AHTR2CHTR1AKCNH2
SCHEMBL5235646 0.67 DRD2 (0.46) DRD2DRD4DRD3MAPTKMT2A
SCHEMBL9722378 0.67 DRD2 (0.49) DRD2HTR2AHTR1ADRD4SIGMAR1
SCHEMBL531012 0.67 ACHE (0.52) DRD2HTR2AHTR7HTR2CHTR1A
SCHEMBL9681618 0.67 HTR2A (0.48) DRD2HTR2AHTR7HTR2CHTR1A
SCHEMBL13448255 0.67 HTR2A (0.60) DRD2HTR2AHTR7HTR1AKCNH2

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