SCHEMBL6533484

SCHEMBL6533484

NC=CCC1CC2CCN1CC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 1/20 0.34
GFER P55789 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL6530931 0.78 GAA (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL3262704 0.76 CHRNB2 (0.35) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL7417993 0.72 HTT (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL7328573 0.68 GAA (0.40) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL10956440 0.67 CHRNB2 (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL2422039 0.67 GAA (0.42) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL11296604 0.67 CHRNB2 (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL10965978 0.67 CHRNB2 (0.38) CHRNB2CHRNA4GAAALPGGFER
SCHEMBL4790055 0.65 CHRM1 (0.51)
SCHEMBL1950582 0.65 CHRNB2 (0.37) CHRNB2CHRNA4GAAALPGGFER

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-1099718-B1 Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam AIR PROD & CHEM (US) 2005-03-30 EP claimed
US-6248801-B1 CELL OPENING ADJUVANTS AIR PRODUCTS AND CHEMICALS, INC. 2001-06-19 US claimed
EP-1099718-A2 Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-16 EP claimed
EP-1099718-B1 Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam AIR PROD & CHEM (US) 2005-03-30 EP disclosed
US-6248801-B1 CELL OPENING ADJUVANTS AIR PRODUCTS AND CHEMICALS, INC. 2001-06-19 US disclosed
EP-1099718-A2 Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-05-16 EP disclosed