SCHEMBL4920100

SCHEMBL4920100

COc1ccc(CNCCNCCN)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.74
GAA P10253 1/20 0.54
SCN8A Q9UQD0 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MITF O75030 1/20 0.50
LMNA P02545 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GPR35 Q9HC97 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
XBP1 P17861 1/20 0.50

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
SCHEMBL16994624 1.00 CHRM2 (0.74) CHRM2GAASCN8ACA12CA1
SCHEMBL4916759 1.00 CHRM2 (0.74) CHRM2GAASCN8ACA12CA1
SCHEMBL4918916 1.00 CHRM2 (0.74) CHRM2GAASCN8ACA12CA1
SCHEMBL4908769 0.96 CHRM2 (0.73) CHRM2GAASCN8ACA12CA1
SCHEMBL5040557 0.91 CHRM2 (0.81) CHRM2GAASCN8ACA12CA1
SCHEMBL4914700 0.91 CHRM2 (0.81) CHRM2GAASCN8ACA12CA1
SCHEMBL4919379 0.91 CHRM2 (0.81) CHRM2GAASCN8ACA12CA1
SCHEMBL10151336 0.89 CHRM2 (0.74) CHRM2GAASCN8ACA12CA1
SCHEMBL2938432 0.89 CHRM2 (0.78) CHRM2GAASCN8ACA12CA1
SCHEMBL23475984 0.88 CHRM2 (0.77) CHRM2GAASCN8ACA12CA1

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-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
CN-101168601-B Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM 2013-03-06 CN disclosed
CN-101168601-A Crosslinkers for improving stability of polyurethane foams AIR PROD & CHEM (US) 2008-04-30 CN disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US disclosed