SCHEMBL7822253

SCHEMBL7822253

COc1ccc(CC2NCCc3c2[nH]c2cc(C)c(C)cc32)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.77
CHRM4 P08173 3/20 0.57
DRD2 P14416 3/20 0.57
HTR7 P34969 3/20 0.57

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
SCHEMBL7816831 0.89 HTR2B (0.63) HTR2B
SCHEMBL29462336 0.88 HTR2B (0.98) HTR2BCHRM4DRD2HTR7
SCHEMBL9391684 0.88 HTR2B (0.98) HTR2BCHRM4DRD2HTR7
SCHEMBL11043054 0.88 HTR2B (0.98) HTR2BCHRM4DRD2HTR7
Hydrochloric Acid SCHEMBL7828661 0.87 HTR2B (1.00) HTR2BCHRM4DRD2HTR7
Hydrochloric Acid SCHEMBL29727825 0.87 HTR2B (1.00) HTR2BCHRM4DRD2HTR7
SCHEMBL7827315 0.86 HTR2B (0.79) HTR2BCHRM4DRD2HTR7
SCHEMBL9391703 0.86 HTR2B (0.76) HTR2BCHRM4DRD2HTR7
Hydrochloric Acid SCHEMBL8399508 0.85 HTR2B (0.81) HTR2BCHRM4DRD2HTR7
SCHEMBL7828516 0.85 HTR2B (0.78) HTR2BCHRM4DRD2HTR7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-6090945-A HIGH AFFINITY FOR THE 5-HT1C RECEPTOR. ELI LILLY AND COMPANY (US) 2000-07-18 US disclosed
EP-0797995-A2 Use of a 5-HT2 receptor antagonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
EP-0797994-A2 Use of one or more 5-HT2 receptor antagonists in the manufacture of a medicament for treating the symptoms of venomous bites and stings ELI LILLY AND COMPANY (US) 1997-10-01 EP disclosed
US-5635528-A RECEPTOR BINDING MODULATORS, FOR CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 WO disclosed