SCHEMBL5730616

SCHEMBL5730616

COC(=O)C1CN(C(=O)OC(C)(C)C)CC(=O)N1NC1CCN(c2ccnc(C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
GPR119 Q8TDV5 11/20 0.41
USP30 Q70CQ3 3/20 0.40
WNT3A P56704 2/20 0.39
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5729107 0.89 NR1H2 (0.38) NR1H2NR1H3GPR119USP30ALDH1A1
SCHEMBL5729368 0.89 GPR119 (0.43) NR1H2NR1H3GPR119USP30ALDH1A1
SCHEMBL6799065 0.78 GPR119 (0.45) GPR119USP30ALDH1A1
SCHEMBL5731177 0.75 F10 (0.49)
SCHEMBL10320809 0.74 WNT3A (0.56) GPR119WNT3AALDH1A1MEN1MAPT
SCHEMBL16691325 0.73 CKS1B (0.52) GPR119
SCHEMBL18502950 0.71 WNT3A (0.44) NR1H2GPR119WNT3AALDH1A1MEN1
SCHEMBL20510655 0.71 GPR119 (0.46) NR1H2GPR119WNT3A
SCHEMBL31741180 0.68 TBK1 (0.46) NR1H2NR1H3GPR119USP30WNT3A
SCHEMBL641072 0.68 ALDH1A1 (0.53) GPR119USP30WNT3AALDH1A1MAPT

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-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed