SCHEMBL5730186

SCHEMBL5730186

CC(C)(C)OC(=O)NN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
F2 P00734 1/20 0.45
LIPE Q05469 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL5729645 0.84 F10 (0.44) F10F2
SCHEMBL5202414 0.84 STS (0.57) F10
SCHEMBL5735912 0.80 L3MBTL1 (0.50) F10PKM
SCHEMBL5733444 0.80 F10 (0.57) F10PKM
SCHEMBL5735808 0.80 F10 (0.57) F10PKM
SCHEMBL5738290 0.80 F10 (0.54) F10F2
SCHEMBL5733446 0.80 F10 (0.57) F10PKM
SCHEMBL6197267 0.79 DRD2 (0.57) F10PKM
SCHEMBL6196549 0.79 ALDH1A1 (0.48) KDM4ETSHRPKM
SCHEMBL5734302 0.79 F10 (0.54) F10F2PKM

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-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed