SCHEMBL4608310

SCHEMBL4608310

OC1(c2cccc(OCCC3CCCN3)c2)CCC2CN(Cc3ccccc3)CC21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
LTA4H P09960 3/20 0.36
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
CCR8 P51685 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL4609211 0.90 LTA4H (0.42) LTA4HNPY1RHTTNPY2RALDH1A1
SCHEMBL14538755 0.84 FAAH (0.47) LTA4HHTTALDH1A1
SCHEMBL15908896 0.77 NPY1R (0.51) NPY1RHTTNPY2RALDH1A1TSHR
SCHEMBL14538699 0.73 LTA4H (0.49) LTA4HHTT
SCHEMBL6610063 0.69 LTA4H (0.57) LTA4H
SCHEMBL11466396 0.68 CHRNB4 (0.52) CHRNB4CHRNA3HTTGHSR
SCHEMBL11458259 0.68 CHRNB4 (0.75) CHRNB4CHRNA3
SCHEMBL7347038 0.67 CHRNB4 (0.46) CHRNB4CHRNA3LTA4H
SCHEMBL4608914 0.67 SLC6A3 (0.47) NPY1RHTTNPY2R
SCHEMBL14578215 0.66 CHRNB4 (0.52) CHRNB4CHRNA3LTA4H

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 4 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 claimed
WO-2007061741-A2 MODULATORS OF THE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-05-31 WO claimed
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