SCHEMBL7477572

SCHEMBL7477572

O=C(O)CCC1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.45
EPHX2 P34913 2/20 0.45
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
F2R P25116 1/20 0.40
KDM1A O60341 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RIPK1 Q13546 1/20 0.36

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
SCHEMBL17953060 0.84 FFAR4 (0.35) EPHX1EPHX2ITGB3ITGA2BF2R
SCHEMBL29223350 0.82 ITGB3 (0.44) ITGB3ITGA2BF2RCHRM2CHRM1
SCHEMBL1652121 0.81 EPHX1 (0.47) EPHX1EPHX2KDM1ARIPK1
SCHEMBL4599331 0.81 ITGB3 (0.49) ITGB3ITGA2BF2RMEN1KMT2A
SCHEMBL14330457 0.80 EPHX1 (0.46) EPHX1EPHX2KDM1A
SCHEMBL4577744 0.79 EPHX1 (0.48) EPHX1EPHX2KDM1ACHRM2CHRM1
SCHEMBL4577748 0.79 EPHX1 (0.48) EPHX1EPHX2KDM1ARIPK1
SCHEMBL13754851 0.78 EPHX1 (0.47) EPHX1EPHX2KDM1ARIPK1
SCHEMBL16095553 0.78 EPHX1 (0.47) EPHX1EPHX2KDM1ACHRM2CHRM1
SCHEMBL3036073 0.78 ITGB3 (0.46) EPHX1EPHX2ITGB3ITGA2BF2R

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-1227090-A1 AMINE DERIVATIVES Tadeka Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed