SCHEMBL7365710

SCHEMBL7365710

Nc1c(Cl)cc(C(=O)N[C@@H]2CN3CCC2CC3)c2c1CCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.69
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
HTR1A P08908 1/20 0.56
ADRA2C P18825 1/20 0.56
ACHE P22303 1/20 0.56
PTGS1 P23219 1/20 0.56
ADRA1A P35348 1/20 0.56
KCNH2 Q12809 1/20 0.56
HTR4 Q13639 1/20 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
SCHEMBL30036140 1.00 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7434367 1.00 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL8786092 0.99 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6670572 0.95 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7301996 0.88 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7312237 0.87 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9681224 0.82 HTR3A (1.00) HTR3AKCNH2
SCHEMBL7301254 0.80 HTR4 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7311202 0.79 HTR4 (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7416784 0.79 HTR3A (0.55) HTR3AHTR3EHTR3BHTR3DHTR3C

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-0766680-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT 4 AGONISTS PHARMACIA & UPJOHN S.p.A. (IT) 1997-04-09 EP disclosed
WO-1996033186-A1 SUBSTITUTED DIHYDROBENZOFURAN DERIVATIVES AS 5-HT4 AGONISTS PHARMACIA & UPJOHN S.P.A. (IT) 1996-10-24 WO disclosed