SCHEMBL8828756

SCHEMBL8828756

CO[C@@H]1CN(C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)c2c1OCC2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.60
HTR3A P46098 2/20 0.60
HTR1A P08908 1/20 0.60
ADRA2C P18825 1/20 0.60
ACHE P22303 1/20 0.60
PTGS1 P23219 1/20 0.60
ADRA1A P35348 1/20 0.60
KCNH2 Q12809 1/20 0.60
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL8828749 1.00 HTR4 (0.60) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8828833 0.89 HTR4 (0.63) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8828838 0.89 HTR4 (0.63) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8828831 0.89 HTR4 (0.63) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8687215 0.88 HTR4 (0.62) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8687226 0.88 HTR4 (0.62) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8687217 0.88 HTR4 (0.62) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL9013925 0.87 HTR4 (0.63) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL9013929 0.87 HTR4 (0.63) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL9013932 0.87 HTR4 (0.63) HTR4HTR3AHTR1AADRA2CACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616738-A A 7-CARBOXYBENZOFURAN INTERMEDIATE FOR DRUGS HAVING GASTROINTESTINAL MOTILITY STIMULATING PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-01 US disclosed
US-5616583-A GASTROINTESTINAL MOTILITY JANSSEN PHARMACEUTICA N.V. (BE) 1997-04-01 US disclosed
US-5610157-A N-(3-hydroxy-4-piperidinyl) (dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzo-dioxin) carboxamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-11 US disclosed
US-5602129-A GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1997-02-11 US disclosed
US-5576448-A GASTROINTESTINAL DISORDERS, ANTIEMETICS, ANTIPSYCHOTICS OR NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-11-19 US disclosed
US-5565582-A GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-10-15 US disclosed
US-5554772-A CHEMICAL INTERMEDIATES; GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-10 US disclosed
US-5552553-A CHEMICAL INTERMEDIATES FOR LAXATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-03 US disclosed
US-5536733-A GASTROINTESTINAL JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-16 US disclosed
US-5521314-A CHEMICAL INTERMEDIATES FOR CENTRAL NERVOUS SYSTEM, ANTIEMETICS, ANTIPSYCHOTIC AGENTS OR NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-28 US disclosed
US-5374637-A Stimulate gastrointestinal motility JANSSEN PHARMACEUTICA N.V. (BE) 1994-12-20 US disclosed
EP-0389037-A1 N-(3-hydroxy-4-piperidinyl)(dihydrobenzofuran, dihydro-2H-benzopyran or dihydrobenzodioxin)carboxamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-09-26 EP disclosed