SCHEMBL4914707

SCHEMBL4914707

COc1ccc(CNCCN(CCN)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPK1 P28482 2/20 0.43
SCN8A Q9UQD0 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GPR35 Q9HC97 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL4918556 0.97 CHRM2 (0.54) CHRM2CA12CA1CA2CA4
SCHEMBL4919382 0.97 CHRM2 (0.54) CHRM2CA12CA1CA2CA4
SCHEMBL4917452 0.84 CHRM2 (0.49) CHRM2CA12CA1CA2CA9
SCHEMBL4554161 0.83 TAAR1 (0.57) TAAR1LMNAHTTALDH1A1
SCHEMBL4917387 0.81 CHRM2 (0.57) CHRM2MEN1KMT2ATAAR1SCN8A
SCHEMBL4916801 0.81 CHRM2 (0.50) CHRM2CA12CA1CA2CA9
SCHEMBL4913677 0.81 CHRM2 (0.50) CHRM2CA12CA1CA2CA9
SCHEMBL4922897 0.80 MEN1 (0.52) CHRM2GAAMEN1KMT2A
SCHEMBL4908769 0.80 CHRM2 (0.73) CHRM2CA12CA1CA2CA4
SCHEMBL4916809 0.79 CHRM2 (0.58) CHRM2MEN1KMT2ATAAR1SCN8A

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 4 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
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