SCHEMBL2229274

SCHEMBL2229274

CC1C2CN(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)(C)C)C1CN2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
CTSL P07711 1/20 0.45
ABCB1 P08183 1/20 0.44
P2RX7 Q99572 8/20 0.43
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 1/20 0.42
CAPN1 P07384 1/20 0.42
CCR1 P32246 1/20 0.41

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
SCHEMBL2229278 1.00 SYK (0.45) SYKCTSLABCB1P2RX7CASP1
SCHEMBL1931615 0.85 ABCB1 (0.46) SYKCTSLABCB1P2RX7CASP1
SCHEMBL2228500 0.85 ABCB1 (0.43) SYKCTSLABCB1P2RX7CASP1
SCHEMBL2228512 0.83 PDK1 (0.51) SYKCTSLP2RX7
SCHEMBL2228519 0.83 PDK1 (0.51) SYKCTSLP2RX7
SCHEMBL2228517 0.83 PDK1 (0.51) SYKCTSLP2RX7
SCHEMBL13017316 0.79 P2RX7 (0.46) CTSLABCB1P2RX7CASP1CASP3
SCHEMBL9611357 0.79 P2RX7 (0.46) CTSLABCB1P2RX7CASP1CASP3
SCHEMBL2731742 0.79 P2RX7 (0.46) CTSLABCB1P2RX7CASP1CASP3
SCHEMBL12237104 0.78 CTSL (0.47) SYKCTSLCASP1CASP3CASP2

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
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed