SCHEMBL31350082

SCHEMBL31350082

CC1(C)O[C@H]2[C@H](n3cnc4c(NC(C5CCC5)C5CCC5)nc(I)nc43)[C@H]3C[C@@]3(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 13/20 0.52
▸ ADORA3 P0DMS8 10/20 0.52
▸ TSPO P30536 3/20 0.52
▸ HTR2B P41595 18/20 0.52
▸ HTR2C P28335 17/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ HRH2 P25021 2/20 0.48
▸ HTR5A P47898 1/20 0.48
▸ SLC6A3 Q01959 3/20 0.44
▸ TMEM97 Q5BJF2 2/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ TMIGD3 P0DMS9 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42

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
SCHEMBL31350180 0.99 HTR2B (0.53) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350142 0.99 HTR2B (0.53) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350227 0.97 HTR2B (0.51) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350206 0.91 HRH2 (0.57) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350157 0.91 HRH2 (0.56) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350114 0.85 HRH2 (0.44) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350143 0.85 ADORA3 (0.38) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350236 0.81 HTR2B (0.70) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350238 0.80 HTR2B (0.71) ADORA1ADORA3TSPOHTR2BHTR2C
SCHEMBL31350170 0.79 HRH2 (0.43) ADORA1ADORA3HTR2BHTR2CHRH2

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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