SCHEMBL6976464

SCHEMBL6976464

O=C(Cl)NN1CCCC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
EPHX2 P34913 2/20 0.44
HSD11B1 P28845 2/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
SCD5 Q86SK9 3/20 0.40
SCD O00767 2/20 0.40
PPID Q08752 1/20 0.39
POLB P06746 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
SCHEMBL3841906 0.87 RIPK1 (0.51) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8026883 0.83 HSD11B1 (0.48) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21312423 0.76 RIPK1 (0.65) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3056606 0.76 RIPK1 (0.65) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6763836 0.74 GAA (0.45) RIPK1HSD11B1
SCHEMBL1853141 0.71 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1847627 0.71 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17558248 0.71 RIPK1 (0.69) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL19917196 0.71 HSD11B1 (0.59) RIPK1EPHX2HSD11B1HSP90AA1HSP90AB1
SCHEMBL3062584 0.70 RIPK1 (0.67) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023265-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2003-01-15 EP disclosed
US-6211170-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-04-03 US disclosed
EP-1023265-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-08-02 EP disclosed
WO-1999018073-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 WO disclosed