SCHEMBL5729666

SCHEMBL5729666

CN(C1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR119 Q8TDV5 6/20 0.45
STS P08842 1/20 0.45
USP30 Q70CQ3 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL23249889 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTJAK2
SCHEMBL12526593 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTJAK2
SCHEMBL30368837 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTJAK2
SCHEMBL5729241 0.81 GRIN2B (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4385886 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL7657420 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1842426 0.80 MEN1 (0.61) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL5729171 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL6892070 0.80 GRIN2B (0.50) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL17736 0.79 MEN1 (0.49) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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