SCHEMBL5209970

SCHEMBL5209970

CCNC(=O)c1ccc(N2CCC(OC3CCN(C(C)C)CC3)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.56
PARP1 P09874 6/20 0.47
PARP6 Q2NL67 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
ACACB O00763 5/20 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
SCHEMBL5210912 0.92 HRH3 (0.55) HRH3PARP1ACACB
SCHEMBL5212749 0.89 HRH3 (0.54) HRH3PARP1
SCHEMBL5212607 0.88 HRH3 (0.59) HRH3PARP1ACACB
SCHEMBL5210165 0.88 HRH3 (0.59) HRH3PARP1PARP6PARP2PARP3
Hydrochloric Acid SCHEMBL5212448 0.88 HRH3 (0.53) HRH3PARP1
SCHEMBL5210405 0.85 HRH3 (0.61) HRH3
SCHEMBL5213489 0.84 HRH3 (0.57) HRH3PARP1PARP6PARP2PARP3
SCHEMBL5210417 0.84 HRH3 (0.56) HRH3PARP1
SCHEMBL5212115 0.84 HRH3 (0.56) HRH3PARP1
SCHEMBL5212146 0.84 HRH3 (0.54) HRH3PARP1

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-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed