SCHEMBL8770324

SCHEMBL8770324

CCOC(=O)COCC1CCN(C(=O)NC(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
NAMPT P43490 2/20 0.41
FASN P49327 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM1A O60341 1/20 0.38
CCR3 P51677 1/20 0.38
CHRM4 P08173 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
SCHEMBL8770620 0.87 ITGB3 (0.55) KMT2AITGB3ITGA2BFASNHRH2
SCHEMBL8770650 0.86 ITGB3 (0.55) KMT2AITGB3ITGA2B
SCHEMBL8770635 0.86 ITGB3 (0.44) KMT2AITGB3ITGA2BSMN1; SMN2ALOX15
SCHEMBL8770319 0.79 KMT2A (0.43) KMT2ANAMPTFASNHRH2HRH1
SCHEMBL7296779 0.73 ITGB3 (0.54) KMT2AITGB3ITGA2BSMN1; SMN2KDM4E
SCHEMBL8770297 0.72 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8719948 0.72 KDM1A (0.49) FASNHRH2HRH1ALDH1A1SIGMAR1
SCHEMBL8770307 0.71 ITGB3 (0.60) KMT2AITGB3ITGA2BSMN1; SMN2ALOX15
SCHEMBL8770179 0.71 ITGB3 (0.74) KMT2AITGB3ITGA2B
SCHEMBL21070287 0.71 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1

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