SCHEMBL5078157

SCHEMBL5078157

CC(C)(c1nc(-c2cccc(C(F)(F)F)c2F)cs1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPL P40238 15/20 0.53
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
TRPA1 O75762 3/20 0.39
TRPV4 Q9HBA0 2/20 0.38
KDM1A O60341 1/20 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
SCHEMBL4259395 0.80 MPL (0.57) MPLSPHK2SPHK1KDM1A
Bromide SCHEMBL2981785 0.79 MPL (0.56) MPLSPHK2SPHK1KDM1A
SCHEMBL5074715 0.76 KDM4E (0.48) SPHK1
SCHEMBL5072482 0.73 RAB9A (0.43) MPL
SCHEMBL5074749 0.71 MAOA (0.44) KDM1A
SCHEMBL474161 0.70 MPL (1.00) MPLKDM1A
SCHEMBL5072483 0.70 CYP1A1 (0.54)
SCHEMBL4262112 0.69 HPGDS (0.53) MPLSPHK2SPHK1TRPA1
SCHEMBL5074730 0.68 MAPT (0.39)
SCHEMBL16274016 0.68 MPL (0.49) MPLTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP claimed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP disclosed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed