SCHEMBL13344486

SCHEMBL13344486

C1CCN(C2CCN(c3nc4c(s3)CNCC4)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.44
OGA O60502 3/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL31164729 0.82 OGA (0.50) OGA
SCHEMBL15880246 0.76 OGA (0.51) OGA
SCHEMBL21800245 0.75 OGA (0.53) OGA
SCHEMBL12199723 0.72 OGA (0.50) HRH3OGAKCNH2
SCHEMBL12199720 0.72 HRH3 (0.47) HRH3KCNH2
SCHEMBL176096 0.71 HRH3 (0.37) HRH3KCNH2
SCHEMBL3441463 0.66 HRH3 (0.35) HRH3OGA
SCHEMBL12245051 0.66 HRH3 (0.51) HRH3
SCHEMBL8111728 0.65 SMN1; SMN2 (0.44) OGA
SCHEMBL23138292 0.65 PDCD1 (0.39) OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010071822-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-06-24 WO disclosed