SCHEMBL6972069

SCHEMBL6972069

O=C(O)N1C(=O)C[C@@H]1CN1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.39
KMT2A Q03164 1/20 0.39
OPRK1 P41145 2/20 0.37
METAP1 P53582 2/20 0.36
KCNH2 Q12809 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL6972067 1.00 HRH3 (0.39) HRH3KMT2AOPRK1METAP1KCNH2
SCHEMBL7561265 0.74 ITGB1 (0.41)
SCHEMBL6686977 0.72 POLB (0.36) HRH3KMT2A
SCHEMBL6967927 0.68 ITGB1 (0.37)
SCHEMBL6967928 0.68 ITGB1 (0.37)
SCHEMBL248703 0.68 MME (0.43) KMT2A
SCHEMBL6689324 0.68 CA12 (0.47) KMT2A
SCHEMBL18497618 0.67 HRH3 (0.46) HRH3OPRK1KCNH2
SCHEMBL18497582 0.67 HRH3 (0.46) HRH3OPRK1KCNH2
SCHEMBL18497580 0.67 HRH3 (0.46) HRH3OPRK1KCNH2

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-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