SCHEMBL23201583

SCHEMBL23201583

[CH2][C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.70
▸ HTR5A P47898 1/20 0.70
▸ HTR2B P41595 17/20 0.56
▸ HTR2C P28335 16/20 0.56
▸ ADORA1 P30542 14/20 0.56
▸ TMIGD3 P0DMS9 8/20 0.56
▸ ADORA2A P29274 8/20 0.56
▸ SLC6A3 Q01959 3/20 0.56
▸ ADORA3 P0DMS8 9/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ TSPO P30536 3/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ HTR1D P28221 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ ADRB3 P13945 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
SCHEMBL31350147 0.87 HTR2B (0.70) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350186 0.86 HTR2B (0.72) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350070 0.85 HTR2B (0.71) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350256 0.84 HTR2B (0.71) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350105 0.84 HTR2B (0.71) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350145 0.84 HTR2B (0.72) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350257 0.83 HTR2B (0.71) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350228 0.83 HTR2B (0.72) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350117 0.83 HTR2B (0.73) HRH2HTR5AHTR2BHTR2CADORA1
SCHEMBL31350104 0.82 HRH2 (0.66) HRH2HTR5AHTR2BHTR2CADORA1

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
EP-3801537-A2 COMPOUNDS AND METHODS FOR MODULATION OF G-PROTEIN-COUPLED RECEPTORS Primetime Life Sciences, LLC (US) 2021-04-14 — — EP disclosed
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