SCHEMBL31350245

SCHEMBL31350245

OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(I)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 15/20 1.00
▸ ADORA3 P0DMS8 9/20 1.00
▸ TSPO P30536 3/20 1.00
▸ HTR2C P28335 19/20 0.98
▸ HTR2B P41595 19/20 0.98
▸ HRH1 P35367 1/20 0.98
▸ SLC6A3 Q01959 4/20 0.80
▸ CHRM3 P20309 1/20 0.80
▸ TMIGD3 P0DMS9 3/20 0.79
▸ ADORA2A P29274 3/20 0.79
▸ ADRB3 P13945 1/20 0.77
▸ TMEM97 Q5BJF2 2/20 0.75
▸ SIGMAR1 Q99720 1/20 0.75
▸ HRH2 P25021 1/20 0.69
▸ HTR1D P28221 2/20 0.67
▸ ADRA2C P18825 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ OPRM1 P35372 1/20 0.67
▸ ADRA2B P18089 1/20 0.65

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
SCHEMBL31350099 0.99 HTR2B (1.00) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350252 0.99 HTR2B (1.00) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350137 0.96 HTR2B (1.00) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350188 0.88 HTR2B (0.80) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350144 0.87 HTR2B (1.00) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350123 0.86 HTR2B (1.00) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350213 0.86 HTR2B (1.00) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350187 0.85 ADORA1 (0.78) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350209 0.82 ADORA1 (0.72) ADORA1ADORA3TSPOHTR2CHTR2B
SCHEMBL31350119 0.81 ADORA1 (0.70) ADORA1ADORA3TSPOHTR2CHTR2B

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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