SCHEMBL7305692

SCHEMBL7305692

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3ccc(C#N)cc3Br)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.40
IRAK4 Q9NWZ3 3/20 0.40
ABCB1 P08183 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MGLL Q99685 3/20 0.36
KDR P35968 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GPR119 Q8TDV5 3/20 0.34
AR P10275 1/20 0.34
DRD2 P14416 1/20 0.34
PARP1 P09874 1/20 0.34
TNK1 Q13470 1/20 0.34

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
SCHEMBL7298324 0.86 ALK (0.45) ALKIRAK4ABCB1FFAR4MGLL
SCHEMBL7297025 0.86 KMT2A (0.41) IRAK4ABCB1GPR119AR
SCHEMBL7306131 0.83 ITGB3 (0.39) ALKHRH3GPR119
SCHEMBL7293154 0.83 ALDH1A1 (0.34) ALKHRH3GPR119
SCHEMBL7306124 0.83 ITGB3 (0.39) ALKHRH3GPR119
SCHEMBL7306203 0.80 AR (0.39) ALKIRAK4KDRHRH3GPR119
SCHEMBL7306198 0.80 AR (0.39) ALKIRAK4KDRHRH3GPR119
SCHEMBL7304758 0.77 PANK3 (0.39) IRAK4HRH3GPR119AR
SCHEMBL7303451 0.76 GPR119 (0.42) IRAK4HRH3GPR119AR
SCHEMBL356713 0.74 GPR119 (0.54) IRAK4GPR119

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-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed