SCHEMBL4908617

SCHEMBL4908617

Cc1cccc(CNCCNCCN)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
MC4R P32245 2/20 0.51
MC5R P33032 2/20 0.51
CHRM2 P08172 4/20 0.49
MC3R P41968 1/20 0.45
IDO1 P14902 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
VSIR Q9H7M9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4919186 1.00 TAAR1 (0.55) TAAR1MC4RMC5RCHRM2MC3R
SCHEMBL4918654 1.00 TAAR1 (0.55) TAAR1MC4RMC5RCHRM2MC3R
SCHEMBL4919902 0.96 TAAR1 (0.58) TAAR1MC4RMC5RCHRM2MC3R
SCHEMBL4916688 0.91 MEN1 (0.52) TAAR1CHRM2IDO1KDM4EMEN1
SCHEMBL4917404 0.91 MEN1 (0.52) TAAR1CHRM2IDO1KDM4EMEN1
SCHEMBL5034657 0.91 MEN1 (0.52) TAAR1CHRM2IDO1KDM4EMEN1
SCHEMBL10876835 0.90 MC4R (0.57) TAAR1MC4RMC5RCHRM2MC3R
SCHEMBL4911510 0.89 MEN1 (0.54) TAAR1CHRM2IDO1KDM4EMEN1
SCHEMBL20127837 0.88 TAAR1 (0.53) TAAR1MC4RMC5RCHRM2MC3R
SCHEMBL20127841 0.87 CHRM2 (0.54) TAAR1MC4RMC5RCHRM2MC3R

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