SCHEMBL31350252

SCHEMBL31350252

OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 19/20 1.00
▸ HTR2C P28335 18/20 1.00
▸ ADORA1 P30542 16/20 1.00
▸ HRH1 P35367 1/20 1.00
▸ ADORA3 P0DMS8 9/20 0.98
▸ TSPO P30536 3/20 0.98
▸ TMIGD3 P0DMS9 3/20 0.81
▸ ADORA2A P29274 3/20 0.81
▸ SLC6A3 Q01959 4/20 0.79
▸ CHRM3 P20309 1/20 0.79
▸ ADRB3 P13945 1/20 0.76
▸ TMEM97 Q5BJF2 2/20 0.74
▸ SIGMAR1 Q99720 1/20 0.74
▸ HRH2 P25021 1/20 0.68
▸ ADRA2C P18825 1/20 0.66
▸ HTR1D P28221 1/20 0.66
▸ HTR2A P28223 1/20 0.66
▸ OPRM1 P35372 1/20 0.66

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
SCHEMBL31350099 1.00 HTR2B (1.00) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350245 0.99 ADORA1 (1.00) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350137 0.97 HTR2B (1.00) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350188 0.89 HTR2B (0.80) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350213 0.87 HTR2B (1.00) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350144 0.86 HTR2B (1.00) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350123 0.86 HTR2B (1.00) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350187 0.84 ADORA1 (0.78) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350209 0.81 ADORA1 (0.72) HTR2BHTR2CADORA1HRH1ADORA3
SCHEMBL31350119 0.80 ADORA1 (0.70) HTR2BHTR2CADORA1HRH1ADORA3

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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