SCHEMBL5160329

SCHEMBL5160329

c1ccc(NCCCOc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.64
DRD2 P14416 7/20 0.64
DRD3 P35462 7/20 0.64
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
HTR1B P28222 2/20 0.62
KCNA3 P22001 1/20 0.60
HTR1D P28221 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
PPARG P37231 1/20 0.53
GAA P10253 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
RECQL P46063 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
F2 P00734 1/20 0.50

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
SCHEMBL11894824 0.94 KCNA3 (0.64) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL8725186 0.94 DRD4 (0.61) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL11895679 0.92 KCNA3 (0.61) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL11639590 0.92 KCNA3 (0.61) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL11675936 0.91 DRD4 (0.55) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL10410538 0.87 DRD2 (0.68) DRD4DRD2DRD3MAPTHTR1B
SCHEMBL11675915 0.86 KCNA3 (0.53) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL10411052 0.86 PPARG (0.73) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL10409542 0.84 DRD2 (0.51) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL11445655 0.83 PKM (0.65) DRD4DRD2DRD3ALDH1A1MAPT

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
US-9000107-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2015-04-07 US claimed
US-9000107-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2015-04-07 US disclosed
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed