SCHEMBL5222965

SCHEMBL5222965

OC(COc1ccccc1F)CN1C[CH]N(C2CCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 2/20 0.43
ABCB1 P08183 2/20 0.42
DRD4 P21917 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
SCHEMBL5223439 0.80 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL4857823 0.74 ALDH1A1 (0.55) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL4857993 0.73 ALDH1A1 (0.54) LMNAALDH1A1ABCB1
SCHEMBL5901643 0.73 POLB (0.70) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL5995987 0.73 POLB (0.70) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL4866968 0.72 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL5227165 0.72 CACNA1G (0.57) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL11372250 0.71 MEN1 (0.55) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL5221069 0.71 MEN1 (0.49) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL5228562 0.70 CYP3A4 (0.48) MEN1KMT2A

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
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed