SCHEMBL5208889

SCHEMBL5208889

CC(C)N1CCC(OC2CCN(c3ccc(C(=O)N4CCOCC4)nc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.56
SMN1; SMN2 Q16637 1/20 0.48
AKR1C3 P42330 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL5210560 0.91 HRH3 (0.59) HRH3
SCHEMBL5213574 0.90 HRH3 (0.58) HRH3
SCHEMBL5210399 0.85 HRH3 (0.62) HRH3SMN1; SMN2
SCHEMBL5210405 0.84 HRH3 (0.61) HRH3
SCHEMBL5210985 0.84 HRH3 (0.56) HRH3SMN1; SMN2AKR1C3
SCHEMBL5212607 0.81 HRH3 (0.59) HRH3ACACB
SCHEMBL5210165 0.81 HRH3 (0.59) HRH3
SCHEMBL5210077 0.81 HRH3 (0.58) HRH3
SCHEMBL5213801 0.80 HRH3 (0.56) HRH3ACACB
SCHEMBL5209401 0.80 ALDH1A1 (0.64) 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-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed