SCHEMBL31350170

SCHEMBL31350170

CC1(C)O[C@H]2[C@H](n3cnc4c(Cl)nc(Cl)nc43)[C@H]3C[C@@]3(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ HTR2B P41595 11/20 0.38
▸ HTR2C P28335 9/20 0.38
▸ ADORA3 P0DMS8 7/20 0.38
▸ TMIGD3 P0DMS9 6/20 0.37
▸ ADORA1 P30542 8/20 0.36
▸ ADORA2A P29274 6/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ P2RY1 P47900 3/20 0.36
▸ P2RY2 P41231 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL31350143 0.92 ADORA3 (0.38) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL31350094 0.87 HRH2 (0.34) HRH2HTR5AADORA3ADORA1
SCHEMBL31350206 0.87 HRH2 (0.57) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL31350157 0.86 HRH2 (0.56) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL29360010 0.85 ADORA3 (0.55) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL13140717 0.85 HRH2 (0.44) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL12269794 0.81 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL19415065 0.81 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL31350227 0.80 HTR2B (0.51) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL14263512 0.80 HRH2 (0.49) HRH2HTR5AHTR2BHTR2CADORA3

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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