SCHEMBL6586067

SCHEMBL6586067

CN(C)C(=O)N1CCC(CN2CCC(NC(=O)c3cc(Cl)c(N)c4c3OCC4)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.64
HTR1A P08908 1/20 0.64
ADRA2C P18825 1/20 0.64
ACHE P22303 1/20 0.64
PTGS1 P23219 1/20 0.64
ADRA1A P35348 1/20 0.64
HTR3A P46098 1/20 0.64
KCNH2 Q12809 1/20 0.64

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
SCHEMBL6584836 0.92 HTR4 (0.62) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6583032 0.92 HTR4 (0.62) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6586032 0.88 HTR4 (0.64) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6586025 0.88 HTR4 (0.58) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6590238 0.88 HTR4 (0.63) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL30089324 0.87 HTR4 (0.69) HTR4HTR1AADRA2CACHEPTGS1
Fumaric Acid SCHEMBL6588721 0.86 HTR4 (0.62) HTR4HTR1AADRA2CACHEPTGS1
Fumaric Acid SCHEMBL6588705 0.86 HTR4 (0.62) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6584440 0.85 HTR4 (0.67) HTR4HTR1AADRA2CACHEPTGS1
SCHEMBL6586958 0.84 HTR4 (0.59) HTR4HTR1AADRA2CACHEPTGS1

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 6 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 claimed
US-6294555-B1 SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-09-25 US claimed
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 claimed
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