SCHEMBL698962

SCHEMBL698962

CCC1(C(=O)O)CN(C(=O)O)CCC1N

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL28798183 0.81 EPHX2 (0.31)
SCHEMBL6080514 0.74 SMN1; SMN2 (0.31) GNAI3GNAO1GNAI1
SCHEMBL22126575 0.74 SMN1; SMN2 (0.31) GNAI3GNAO1GNAI1
SCHEMBL5745658 0.74 SMN1; SMN2 (0.31) GNAI3GNAO1GNAI1
SCHEMBL4695720 0.74 SMN1; SMN2 (0.31) GNAI3GNAO1GNAI1
SCHEMBL3861743 0.73
SCHEMBL27889783 0.71
SCHEMBL27969648 0.70
SCHEMBL23704748 0.70 DPP4 (0.31)
SCHEMBL6215052 0.70 CYP1A2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013084241-A1 COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2013-06-13 WO disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed