SCHEMBL8635654

SCHEMBL8635654

CC(=O)OC(=O)C(Oc1cccc2ccccc12)N1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ALOX15 P16050 1/20 0.38
AOC3 Q16853 2/20 0.37
ROCK2 O75116 1/20 0.37
NPY2R P49146 1/20 0.37
DRD3 P35462 1/20 0.36

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
SCHEMBL8633635 0.83 TSHR (0.44) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL8633965 0.74 NPY2R (0.55) MAPTALDH1A1KDM4ELMNATSHR
Hydrochloric Acid SCHEMBL8838195 0.73 NPY2R (0.54) MAPTALDH1A1KDM4ELMNAMEN1
SCHEMBL8634059 0.72 ITGB3 (0.44) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL4379063 0.72 KDM4E (0.82) MAPTALDH1A1KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL8699382 0.72 ITGB3 (0.43) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL8635651 0.71 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8633823 0.70 NCF1 (0.39) MAPTALDH1A1KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL8636989 0.70 ABCB1 (0.48) ALDH1A1KDM4EHRH3NPY2R
SCHEMBL8700994 0.70 AOC3 (0.41) MAPTALDH1A1HSD17B10TSHRMEN1

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed