SCHEMBL6586533

SCHEMBL6586533

CCOC(=O)CCCC(C1CCNCC1)N1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.56
HTR3A P46098 2/20 0.56
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
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6583036 0.80 HTR4 (0.56) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL6586528 0.79 HTR4 (0.70) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL9477447 0.78 HTR4 (0.70) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL6586073 0.78 HTR4 (0.56) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8127466 0.78 HTR4 (0.69) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL6584843 0.78 HTR4 (0.55) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL6587143 0.77 HTR4 (0.53) HTR4HTR3AHTR1AADRA2CACHE
Fumaric Acid SCHEMBL6588715 0.77 HTR4 (0.55) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL8721073 0.77 HTR4 (0.62) HTR4HTR3AHTR1AADRA2CACHE
SCHEMBL6587489 0.77 HTR4 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1076055-B1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS DAINIPPON PHARMACEUTICAL CO (JP) 2004-11-24 EP disclosed
US-6294555-B1 SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-09-25 US disclosed
EP-1076055-A1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-02-14 EP disclosed