SCHEMBL1992570

SCHEMBL1992570

CC(C)(C)OC(=O)C(N)c1ccc2c(c1)C1(CCNCC1)CO2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.34
PRSS1 P07477 4/20 0.32
PRSS2 P07478 4/20 0.32
PRSS3 P35030 4/20 0.32
ABCB1 P08183 3/20 0.31

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
SCHEMBL1985762 0.80 PRSS1 (0.42) PRSS1PRSS2PRSS3
SCHEMBL15772000 0.79 PRSS1 (0.32) PRSS1PRSS2PRSS3
SCHEMBL14898222 0.76 PRSS1 (0.38) PRSS1PRSS2PRSS3
SCHEMBL1992569 0.74 SMN1; SMN2 (0.42) PRSS1PRSS2PRSS3
SCHEMBL7276282 0.73 MMP12 (0.48)
SCHEMBL7684870 0.73 EDNRA (0.57) EDNRA
SCHEMBL2110715 0.70 HDAC1 (0.36) PRSS1PRSS2PRSS3
SCHEMBL7438336 0.70 EDNRA (0.39) EDNRA
SCHEMBL14879763 0.70 PRSS1 (0.41) PRSS1PRSS2PRSS3
SCHEMBL2919576 0.69 PRSS1 (0.38) PRSS1PRSS2PRSS3

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-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed