SCHEMBL8933614

SCHEMBL8933614

CCC(I)N(Cc1ccccc1OC)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALDH1A1 P00352 1/20 0.50
BCHE P06276 7/20 0.45
ACHE P22303 7/20 0.45
CHRM2 P08172 3/20 0.44
CHRM1 P11229 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TSPO P30536 3/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRK1 P41145 2/20 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
SCHEMBL3385998 0.75 MEN1 (0.51) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL14540454 0.72 MEN1 (0.74) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL9781306 0.70 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL19772465 0.70 CHRM2 (0.51) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL6583786 0.70 MEN1 (0.62) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL6583793 0.70 MEN1 (0.62) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL14276937 0.70 MEN1 (0.48) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL735118 0.69 SLC6A4 (0.68) MEN1KMT2ACRHBPCRHR2CHRM2
SCHEMBL8796368 0.69 PTGES (0.56) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL15118580 0.69 MEN1 (0.61) MEN1KMT2ACRHBPCRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996024353-A1 METHODS OF TREATING OR PREVENTING PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed