SCHEMBL31350251

SCHEMBL31350251

CCCCSC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc31)[C@@H]1OC(C)(C)O[C@@H]12

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 19/20 0.75
▸ ADORA3 P0DMS8 11/20 0.75
▸ HTR1D P28221 3/20 0.64
▸ ADRB3 P13945 3/20 0.64
▸ ADRA2C P18825 2/20 0.64
▸ DRD4 P21917 1/20 0.64
▸ HRH2 P25021 2/20 0.60
▸ HTR5A P47898 1/20 0.60
▸ HTR2C P28335 16/20 0.59
▸ ADRA2B P18089 2/20 0.59
▸ ADORA1 P30542 8/20 0.56
▸ SLC6A3 Q01959 4/20 0.56
▸ TSPO P30536 2/20 0.56
▸ TMEM97 Q5BJF2 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ CHRM3 P20309 1/20 0.56
▸ TMIGD3 P0DMS9 3/20 0.56
▸ ADORA2A P29274 3/20 0.56

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
SCHEMBL31350200 0.93 HTR2B (0.74) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350117 0.90 HTR2B (0.73) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350070 0.87 HTR2B (0.71) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350186 0.86 HTR2B (0.72) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350256 0.86 HTR2B (0.71) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350145 0.86 HTR2B (0.72) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350105 0.86 HTR2B (0.71) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350225 0.86 HTR2B (1.00) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350257 0.86 HTR2B (0.71) HTR2BADORA3HTR1DADRB3ADRA2C
SCHEMBL31350228 0.86 HTR2B (0.72) HTR2BADORA3HTR1DADRB3ADRA2C

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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