SCHEMBL5547801

SCHEMBL5547801

O=C(Nc1[c]ccc(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 5/20 0.49
ENPP3 O14638 4/20 0.45
ENPP2 Q13822 3/20 0.45
ENPP1 P22413 3/20 0.45
ALDH1A1 P00352 2/20 0.44
PTPN1 P18031 1/20 0.43
HPGD P15428 1/20 0.43
EPHX2 P34913 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
SCHEMBL5551875 0.93 MEN1 (0.50) MEN1TSHRKMT2ARXFP1ALDH1A1
SCHEMBL5552001 0.88 MEN1 (0.46) MEN1TSHRKMT2ARXFP1ALDH1A1
SCHEMBL5551386 0.85 KDM4E (0.47) MEN1TSHRKMT2AALDH1A1EPHX2
SCHEMBL5547807 0.83 EPHX2 (0.48) MEN1TSHRKMT2AALDH1A1EPHX2
SCHEMBL5548685 0.82 ABL1 (0.48) MEN1KMT2AALDH1A1PTPN1
SCHEMBL5547738 0.82 CSNK1D (0.56) MEN1TSHRKMT2AHPGDEPHX2
SCHEMBL5548725 0.80 CSNK1D (0.54) MEN1TSHRKMT2AHPGDEPHX2
SCHEMBL3282828 0.80 SMN1; SMN2 (0.43) MEN1TSHRKMT2A
SCHEMBL3282830 0.80 SMN1; SMN2 (0.43) MEN1TSHRKMT2A
SCHEMBL3282834 0.80 SMN1; SMN2 (0.43) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed