SCHEMBL1706335

SCHEMBL1706335

CC(C)N1CCN(C(=O)c2ccc(OC3CCOC(=O)C3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.56
KMT2A Q03164 1/20 0.47
CHRNA7 P36544 2/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL121598 0.85 HRH3 (0.67) HRH3KMT2A
Hydrochloric Acid SCHEMBL1706094 0.84 HRH3 (0.66) HRH3KMT2A
SCHEMBL196937 0.81 HRH3 (0.62) HRH3KMT2ACHRNA7
Hydrochloric Acid SCHEMBL1169646 0.80 HRH3 (0.61) HRH3KMT2ACHRNA7
SCHEMBL4505554 0.75 HRH3 (0.89) HRH3
SCHEMBL14006753 0.74 HRH3 (0.78) HRH3
SCHEMBL1432434 0.74 HRH3 (0.56) HRH3KMT2ACHRNA7
SCHEMBL1432431 0.74 HRH3 (0.56) HRH3KMT2ACHRNA7
SCHEMBL13503751 0.73 DRD3 (0.71) HRH3CHRNA7EPHX2
SCHEMBL4491534 0.72 HRH3 (0.84) HRH3

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
EP-2195307-B1 PIPERAZINE DERIVATIVE HAVING AFFINITY FOR THE HISTAMINE H3 RECEPTOR GLAXO GROUP LTD (GB) 2012-04-18 EP claimed