SCHEMBL9500980

SCHEMBL9500980

CCCOc1ccccc1N1CC[N]CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 4/20 0.52
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD4 P21917 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
HTR1A P08908 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL9579386 0.92 DRD2 (0.58) DRD2DRD3ALDH1A1HSD17B10DRD4
SCHEMBL219349 0.87 ALDH1A1 (0.61) DRD2DRD3ALDH1A1HSD17B10DRD4
SCHEMBL6927912 0.81 HTR1A (0.64) DRD2DRD3HTR1AMAPTSLC6A2
Hydrochloric Acid SCHEMBL7302055 0.80 LMNA (0.65) DRD2DRD3HTR1AMAPTSLC6A2
SCHEMBL217093 0.78 DRD2 (0.66) DRD2DRD3ALDH1A1SMN1; SMN2HTR1A
SCHEMBL27597995 0.77 DRD2 (0.57) DRD2DRD3ALDH1A1HSD17B10DRD4
SCHEMBL4750831 0.76 FFAR4 (0.40) ALDH1A1HSD17B10SMN1; SMN2MAPTKDM4E
SCHEMBL7510093 0.76 HTR1A (0.57) DRD2ALDH1A1HTTHTR1AMAPT
SCHEMBL4724465 0.76 DRD2 (0.44) DRD2DRD3ALDH1A1HSD17B10DRD4
SCHEMBL9332845 0.75 DRD2 (0.67) DRD2DRD3ALDH1A1HSD17B10DRD4

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-0273444-B1 USE OF CARBOXAMIDE COMPOUNDS FOR THE PREPARATION OF A MEDICAMENT FOR TREATING HYPERLIPIDEMIA OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1993-05-05 EP disclosed
US-5081112-A Administering an aryl phosphonate carboxamide OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1992-01-14 US disclosed