SCHEMBL6584868

SCHEMBL6584868

COc1cc(N)c(Br)cc1C(=O)NC1CCN(CC2CCNCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.64
ACHE P22303 3/20 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
SCHEMBL11548165 0.90 HTR4 (0.77) HTR4ACHE
Hydrochloric Acid SCHEMBL11546863 0.89 HTR4 (0.76) HTR4ACHE
SCHEMBL6583155 0.89 HTR4 (0.76) HTR4ACHE
SCHEMBL7903250 0.88 HTR4 (0.65) HTR4ACHE
SCHEMBL6588484 0.88 HTR4 (0.65) HTR4ACHE
SCHEMBL6586459 0.86 HTR4 (0.66) HTR4ACHE
SCHEMBL6587254 0.85 HTR4 (0.62) HTR4ACHE
SCHEMBL6587845 0.84 HTR4 (0.61) HTR4ACHE
SCHEMBL6584495 0.83 HTR4 (0.62) HTR4ACHE
Fumaric Acid SCHEMBL6590853 0.82 HTR4 (0.59) HTR4ACHE

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