SCHEMBL31350236

SCHEMBL31350236

CC1(C)O[C@H]2[C@H](n3cnc4c(NC(C5CC5)C5CC5)nc(I)nc43)[C@H]3C[C@@]3(CO)[C@H]2O1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 17/20 0.70
▸ ADORA1 P30542 16/20 0.70
▸ HTR2C P28335 16/20 0.70
▸ ADORA3 P0DMS8 7/20 0.70
▸ HRH1 P35367 1/20 0.67
▸ TSPO P30536 2/20 0.66
▸ HRH2 P25021 1/20 0.59
▸ HTR5A P47898 1/20 0.59
▸ ADORA2A P29274 6/20 0.58
▸ TMIGD3 P0DMS9 5/20 0.58
▸ SLC6A3 Q01959 3/20 0.58
▸ CHRM3 P20309 1/20 0.55
▸ ADRB3 P13945 1/20 0.55

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
SCHEMBL31350238 0.90 HTR2B (0.71) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350145 0.88 HTR2B (0.72) HTR2BADORA1HTR2CADORA3TSPO
SCHEMBL31350228 0.87 HTR2B (0.72) HTR2BADORA1HTR2CADORA3TSPO
SCHEMBL31350227 0.83 HTR2B (0.51) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350137 0.83 HTR2B (1.00) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350147 0.83 HTR2B (0.70) HTR2BADORA1HTR2CADORA3TSPO
SCHEMBL31350186 0.81 HTR2B (0.72) HTR2BADORA1HTR2CADORA3TSPO
SCHEMBL31350252 0.80 HTR2B (1.00) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350099 0.80 HTR2B (1.00) HTR2BADORA1HTR2CADORA3HRH1
SCHEMBL31350245 0.79 ADORA1 (1.00) HTR2BADORA1HTR2CADORA3HRH1

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
Send feedback