SCHEMBL4653085

SCHEMBL4653085

C[C@@H]1CCCN1Cc1ccc(C2(O)CC[C@@H]3CN(Cc4ccccc4)CC32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.47
HTT P42858 1/20 0.47
NPY2R P49146 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
HRH2 P25021 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4653089 1.00 NPY1R (0.47) NPY1RHTTNPY2RHRH3HRH2
SCHEMBL4653088 1.00 NPY1R (0.47) NPY1RHTTNPY2RHRH3HRH2
SCHEMBL4609111 0.92 HRH3 (0.48) HRH3
SCHEMBL4624618 0.92 HRH3 (0.48) HRH3
SCHEMBL14538713 0.92 HRH3 (0.48) HRH3
SCHEMBL4607992 0.92 HRH3 (0.48) HRH3
SCHEMBL4624649 0.88 HRH3 (0.48) HRH3
SCHEMBL4624657 0.88 HRH3 (0.48) HRH3
SCHEMBL15908896 0.83 NPY1R (0.51) NPY1RHTTNPY2RALDH1A1POLB
SCHEMBL4608914 0.81 SLC6A3 (0.47) NPY1RHTTNPY2RHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948605-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-07-30 EP disclosed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed