SCHEMBL9533096

SCHEMBL9533096

CCCC(N)(O)N1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
FDPS P14324 1/20 0.30

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
SCHEMBL8370582 0.85 SIGMAR1 (0.33) SIGMAR1
SCHEMBL1408779 0.78 GNAI3 (0.33) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL28768405 0.78 GNAI3 (0.37) GNAI3GNAO1GNAI1
SCHEMBL8460971 0.77 SIGMAR1 (0.33) SIGMAR1GNAI3GNAO1GNAI1FDPS
SCHEMBL4559646 0.73 GNAI3 (0.34) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL812845 0.73 OPRD1 (0.32) SIGMAR1
SCHEMBL16719167 0.72 CA2 (0.32)
SCHEMBL3388002 0.71 SIGMAR1 (0.31) SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL1306135 0.71 GNAI3 (0.31) GNAI3GNAO1GNAI1
SCHEMBL1408743 0.71 SIGMAR1 (0.31) SIGMAR1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290862-B1 Process for the preparation of 1,4-diazabicyclo[2.2.2] octanes BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
EP-0263463-B1 Process for the preparation of 1,4-diazabicyclo[2,2,2] octanes BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0310689-A1 Process for the preparation of 1,4-diazabicyclo(2,2,2)-octanes BASF Aktiengesellschaft (DE) 1989-04-12 EP disclosed
US-4804758-A FROM HETEROCYCLIC AMINES USING BORON OR IRON SILICATE ZEOLITE CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
EP-0290862-A2 Process for the preparation of 1,4-diazabicyclo[2.2.2] octanes BASF Aktiengesellschaft (DE) 1988-11-17 EP disclosed
EP-0263463-A2 Process for the preparation of 1,4-diazabicyclo[2,2,2] octanes BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed