SCHEMBL7054447

SCHEMBL7054447

CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2OCC(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
MAPT P10636 1/20 0.44
STS P08842 1/20 0.44
RBP4 P02753 1/20 0.44
IDE P14735 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
MGLL Q99685 3/20 0.43
ABHD6 Q9BV23 3/20 0.43
PLA2G7 Q13093 2/20 0.43
LIPE Q05469 1/20 0.43
TACR3 P29371 1/20 0.42

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
SCHEMBL12632946 0.83 CYP2C9 (0.58) CYP2C9HDAC1HDAC6MEN1KMT2A
SCHEMBL19385763 0.82 MEN1 (0.52) CYP2C9HDAC1HDAC6MEN1KMT2A
SCHEMBL6772998 0.81 LIPE (0.48) CYP2C9HDAC1HDAC6SMN1; SMN2GPR119
SCHEMBL20657938 0.81 MEN1 (0.55) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL7049612 0.78 MEN1 (0.55) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL2365793 0.78 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL30208133 0.78 MEN1 (0.58) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL30591201 0.77 CYP3A4 (0.56) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL1907784 0.77 CYP3A4 (0.56) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL955402 0.77 NR1H4 (0.55) MEN1KMT2ASMN1; SMN2HTTNPSR1

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-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed