SCHEMBL4778049

SCHEMBL4778049

Cc1c(CN2CCC(c3c(F)cccc3Cl)CC2)c2ccccc2n1CC(=O)N1CCC(O)CC1.Cc1c(CN2CCC(c3c(F)cccc3Cl)CC2)c2ccccc2n1CC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 4/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
USP14 P54578 3/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.37

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
SCHEMBL4780527 0.97 SMN1; SMN2 (0.42) LMNAGLAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4780894 0.96 LMNA (0.47) LMNAGLAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4781548 0.92 LMNA (0.44) LMNAGLAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4773925 0.89 POLB (0.42) LMNAGLAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4780556 0.88 KDM4E (0.46) LMNAGLAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL4779433 0.85 PTGDR2 (0.50) SMN1; SMN2KDM4EPOLBTSHRALDH1A1
SCHEMBL4778231 0.84 KDM4E (0.46) L3MBTL1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL4778810 0.82 KDM4E (0.46) L3MBTL1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL4776203 0.82 KDM4E (0.46) L3MBTL1SMN1; SMN2KDM4EPOLBTSHR
SCHEMBL4774108 0.82 KDM4E (0.44) L3MBTL1SMN1; SMN2KDM4EPOLBTSHR

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-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed