SCHEMBL3631453

SCHEMBL3631453

CC(C)(C)OC(=O)C1CN(Cc2ccccc2)C(=O)N1C(=O)OI

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.49
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
FKBP1A P62942 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3632662 0.87 ACE (0.52) ACEKMT2APOLBCYP2D6CYP2C9
SCHEMBL3624711 0.82 KMT2A (0.38) ACEALDH1A1TSHRMAPK1KMT2A
SCHEMBL6691029 0.79 TDP1 (0.41) ACEALDH1A1TSHRMAPK1FKBP1A
SCHEMBL28968201 0.74 HPGD (0.43) ACEFKBP1ASMN1; SMN2
SCHEMBL30428928 0.73 HPGD (0.43) MAPK1FKBP1ASMN1; SMN2
SCHEMBL9356309 0.73 KMT2A (0.56) ALDH1A1KMT2A
SCHEMBL9352224 0.73 KMT2A (0.56) ALDH1A1KMT2A
SCHEMBL4435031 0.72 ACE (0.61) ACEFKBP1ASMN1; SMN2
SCHEMBL11197364 0.72 MMP13 (0.53) ALDH1A1TSHRMAPK1KMT2A
SCHEMBL7270216 0.72 ACE (0.61) ACEFKBP1ASMN1; SMN2

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-2142512-A2 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-01-13 EP disclosed
WO-2008119825-A2 IMIDAZOLIDINE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed