SCHEMBL5227790

SCHEMBL5227790

O=C(Nc1ccccc1NC(=O)C1=CCCCC1)OCC1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.42
CHRM3 P20309 14/20 0.40
HDAC2 Q92769 3/20 0.39
HDAC1 Q13547 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
HDAC3 O15379 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
Hydrochloric Acid SCHEMBL5227448 0.83 ALDH1A1 (0.44) CHRM3HDAC2BCHEACHEMAOB
SCHEMBL5228823 0.81 F10 (0.53) F10CHRM3HDAC2HDAC1BCHE
SCHEMBL5260230 0.80 F10 (0.52) F10CHRM3HDAC2HDAC1BCHE
SCHEMBL7406978 0.80 HDAC3 (0.55) CHRM3HDAC2HDAC1BCHEACHE
Hydrochloric Acid SCHEMBL7245636 0.79 HDAC2 (0.37) F10HDAC2HDAC1HDAC3
SCHEMBL5258542 0.78 CHRM3 (0.50) F10CHRM3HDAC2HDAC1HDAC3
Hydrochloric Acid SCHEMBL5221482 0.78 F10 (0.44) F10CHRM3HDAC2HDAC1BCHE
SCHEMBL5263815 0.77 F10 (0.55) F10
SCHEMBL5221853 0.76 MAPK1 (0.46) F10CHRM3BCHEACHEMAOB
Hydrochloric Acid SCHEMBL5227078 0.76 F10 (0.48) F10CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed