SCHEMBL5554181

SCHEMBL5554181

O=C(Nc1cccc(C(F)(F)F)c1)OC(=O)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HTR1E P28566 1/20 0.57
▸ S1PR3 Q99500 1/20 0.57
▸ RXFP1 Q9HBX9 3/20 0.56
▸ EPHX2 P34913 1/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ EGFR P00533 1/20 0.54
▸ ERBB4 Q15303 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ TP53 P04637 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52

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
SCHEMBL28360244 0.81 MEN1 (0.53) MAPTALDH1A1EPHX2MEN1KMT2A
SCHEMBL515008 0.79 SMN1; SMN2 (0.68) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL28263497 0.78 GAA (0.53) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL515007 0.78 MAPT (0.62) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL19638388 0.77 RXFP1 (0.73) ALDH1A1LMNARXFP1EPHX2MEN1
SCHEMBL4312525 0.77 MAPT (0.54) MAPTALDH1A1LMNAEPHX2MEN1
SCHEMBL25389220 0.76 RXFP1 (0.74) MAPTALDH1A1LMNAHTR1ES1PR3
SCHEMBL2239100 0.76 RXFP1 (0.74) MAPTALDH1A1LMNAHTR1ES1PR3
SCHEMBL30042580 0.75 RXFP1 (0.73) MAPTALDH1A1LMNARXFP1MEN1
SCHEMBL1013325 0.75 RXFP1 (0.73) MAPTALDH1A1LMNARXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620391-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-10-31 — — EP disclosed
EP-1620391-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-02-01 — — EP disclosed
WO-2004098516-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 — — WO disclosed
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