SCHEMBL6590446

SCHEMBL6590446

COc1cc(N)c(Cl)cc1C(=O)NC1CCN(C(C(=O)N(C)c2ccccc2)C2CCNCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.61
DRD4 P21917 4/20 0.57
CYP3A4 P08684 2/20 0.57
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
CYP1A2 P05177 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
ACHE P22303 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
ADRA1A P35348 1/20 0.57
OPRK1 P41145 1/20 0.57
HTR2B P41595 1/20 0.57
CHRNA4 P43681 1/20 0.57
HTR3A P46098 1/20 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
SCHEMBL6590685 0.90 HTR4 (0.68) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6584653 0.87 HTR4 (0.65) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6588504 0.87 HTR4 (0.65) HTR4DRD4CYP3A4DRD2DRD3
Fumaric Acid SCHEMBL6588346 0.87 HTR4 (0.61) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6583145 0.86 HTR4 (0.73) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6585699 0.86 HTR4 (0.62) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6588940 0.86 HTR4 (0.62) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6586562 0.86 HTR4 (0.67) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6586524 0.85 HTR4 (0.71) HTR4DRD4CYP3A4DRD2DRD3
SCHEMBL6584522 0.85 DRD4 (0.64) HTR4DRD4CYP3A4DRD2DRD3

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