SCHEMBL4710169

SCHEMBL4710169

CCCCCCNC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.46
GNAO1 P09471 2/20 0.46
GNAI1 P63096 2/20 0.46
GBA1 P04062 6/20 0.43
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.38
FUCA1 P04066 8/20 0.36
GLB1 P16278 2/20 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
SCHEMBL9456737 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1GBA1S1PR4
SCHEMBL9492627 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1GBA1S1PR4
SCHEMBL870341 0.93 GNAI3 (0.37) GNAI3GNAO1GNAI1GBA1S1PR4
SCHEMBL295240 0.93 GNAI3 (0.35) GNAI3GNAO1GNAI1GBA1S1PR4
SCHEMBL11140564 0.87
SCHEMBL11139275 0.85 FLT3 (0.31)
SCHEMBL7661667 0.84 SQLE (0.40) GNAI3GNAO1GNAI1GBA1GLB1
SCHEMBL19574766 0.84 GBA1 (0.46) GNAI3GNAO1GNAI1GBA1S1PR4
SCHEMBL27459255 0.83 FLT3 (0.38) GNAI3GNAO1GNAI1S1PR4S1PR1
SCHEMBL11027281 0.82 HDAC4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993362-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS Lanxess Deutschland GmbH & Co.KG (DE) 2008-11-26 EP disclosed
WO-2007101549-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 WO disclosed