SCHEMBL9835870

SCHEMBL9835870

C=CCN1CCNCC1N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.33
HTR6 P50406 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL5459912 0.76
SCHEMBL5694541 0.74 CHRM2 (0.31) CHRM2CHRM3
SCHEMBL708989 0.74 CHRM2 (0.31) HTR3ACHRM2CHRM3
SCHEMBL13771787 0.74 MAPT (0.39) CHRM2CHRM3
SCHEMBL1414718 0.74 MAPT (0.33) CHRM2CHRM3
SCHEMBL3861432 0.73 CHRM2 (0.31) CHRM2CHRM3
Ammonia Solution, Strong SCHEMBL27874578 0.73 CHRM2 (0.31) HTR3ACHRM2CHRM3
SCHEMBL28247416 0.73 HTR6 (0.32) HTR6
SCHEMBL3366367 0.73 CHRM2 (0.31) CHRM2CHRM3
Pyrrolidine SCHEMBL27776132 0.72 CHRM2 (0.34) HTR3ACHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0296048-B1 DERIVATIVES OF PIPERAZINYL ALKYL PIPERAZINE DIONE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1991-11-21 EP disclosed
EP-0296048-B1 DERIVATIVES OF PIPERAZINYL ALKYL PIPERAZINE DIONE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1991-11-21 EP disclosed
EP-0296048-A1 Derivatives of piperazinyl alkyl piperazine dione, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-12-21 EP disclosed
EP-0296048-A1 Derivatives of piperazinyl alkyl piperazine dione, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1988-12-21 EP disclosed