SCHEMBL31350238

SCHEMBL31350238

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 16/20 0.71
▸ ADORA1 P30542 15/20 0.71
▸ HTR2C P28335 13/20 0.71
▸ ADORA3 P0DMS8 11/20 0.60
▸ HRH1 P35367 1/20 0.57
▸ ADRA2B P18089 2/20 0.56
▸ HRH2 P25021 2/20 0.55
▸ HTR5A P47898 1/20 0.55
▸ TSPO P30536 2/20 0.55
▸ HTR2A P28223 1/20 0.54
▸ ADORA2A P29274 4/20 0.49
▸ TMIGD3 P0DMS9 3/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ ADRB3 P13945 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 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
SCHEMBL31350186 0.91 HTR2B (0.72) HTR2BADORA1HTR2CADORA3ADRA2B
SCHEMBL31350236 0.90 HTR2B (0.70) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350117 0.88 HTR2B (0.73) HTR2BADORA1HTR2CADORA3ADRA2B
SCHEMBL31350113 0.84 ADORA3 (0.69) HTR2BADORA1HTR2CADORA3ADRA2B
SCHEMBL31350213 0.83 HTR2B (1.00) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350227 0.82 HTR2B (0.51) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350147 0.81 HTR2B (0.70) HTR2BADORA1HTR2CADORA3ADRA2B
SCHEMBL31350200 0.81 HTR2B (0.74) HTR2BADORA1HTR2CADORA3ADRA2B
SCHEMBL31350070 0.79 HTR2B (0.71) HTR2BADORA1HTR2CADORA3ADRA2B
SCHEMBL31350145 0.78 HTR2B (0.72) HTR2BADORA1HTR2CADORA3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747254-A1 <SUP2/>? <SUB2/>?2B?5-HTSEROTONIN RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE THEREOF The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2026-05-27 — — EP disclosed
WO-2025019529-A1 5-HT 2B SEROTONIN RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-01-23 — — WO disclosed
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