SCHEMBL8770620

SCHEMBL8770620

CCOC(=O)COC1CCN(C(=O)NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.55
ITGA2B P08514 6/20 0.55
KMT2A Q03164 1/20 0.43
CETP P11597 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
PRKAA2 P54646 1/20 0.39
FASN P49327 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8770324 0.87 KMT2A (0.42) ITGB3ITGA2BKMT2ASMN1; SMN2ALOX15
SCHEMBL8770179 0.84 ITGB3 (0.74) ITGB3ITGA2BKMT2A
SCHEMBL8770307 0.84 ITGB3 (0.60) ITGB3ITGA2BKMT2ASMN1; SMN2ALOX15
SCHEMBL8770319 0.80 KMT2A (0.43) KMT2ASMN1; SMN2ALOX15HTTFASN
SCHEMBL8770635 0.73 ITGB3 (0.44) ITGB3ITGA2BKMT2ASMN1; SMN2ALOX15
SCHEMBL8382676 0.73 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL8382672 0.73 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL8770650 0.73 ITGB3 (0.55) ITGB3ITGA2BKMT2A
SCHEMBL8379238 0.72 ITGB3 (0.73) ITGB3ITGA2BKMT2AFASN
SCHEMBL8379235 0.72 ITGB3 (0.73) ITGB3ITGA2BKMT2AFASN

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed