SCHEMBL31350227

SCHEMBL31350227

CC1(C)O[C@H]2[C@H](n3cnc4c(NC(C5CC5)C5CC5)nc(I)nc43)[C@H]3C[C@@]3(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 17/20 0.51
▸ ADORA1 P30542 16/20 0.51
▸ HTR2C P28335 16/20 0.51
▸ ADORA3 P0DMS8 9/20 0.51
▸ HRH2 P25021 2/20 0.51
▸ HTR5A P47898 1/20 0.51
▸ HRH1 P35367 1/20 0.49
▸ TSPO P30536 3/20 0.48
▸ ADORA2A P29274 4/20 0.43
▸ TMIGD3 P0DMS9 3/20 0.43
▸ SLC6A3 Q01959 3/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40

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
SCHEMBL31350142 0.98 HTR2B (0.53) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350180 0.98 HTR2B (0.53) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350082 0.97 ADORA1 (0.52) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350206 0.90 HRH2 (0.57) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350157 0.89 HRH2 (0.56) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350143 0.86 ADORA3 (0.38) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350114 0.83 HRH2 (0.44) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350236 0.83 HTR2B (0.70) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350238 0.82 HTR2B (0.71) HTR2BADORA1HTR2CADORA3HRH2
SCHEMBL31350170 0.80 HRH2 (0.43) HTR2BADORA1HTR2CADORA3HRH2

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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