SCHEMBL4590848

SCHEMBL4590848

CCO[Si](OCC)(OCC)C(Cc1ccccc1)C(N)C(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
TAAR1 Q96RJ0 4/20 0.46
SIGMAR1 Q99720 3/20 0.46
SLC6A2 P23975 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
EPHX1 P07099 1/20 0.40
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC18A2 Q05940 1/20 0.36

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
SCHEMBL2719462 0.84 CYP2D6 (0.50) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL21060575 0.81 SIGMAR1 (0.42) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL340569 0.79 SIGMAR1 (0.46) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL4590844 0.79 ALDH1A1 (0.40) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL2181964 0.78 TAAR1 (0.47) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL28065353 0.76 SIGMAR1 (0.45) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL15453595 0.76 CYP2D6 (0.49) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL3476725 0.73 CYP2D6 (0.53) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL339627 0.72 SIGMAR1 (0.42) CYP2D6TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL22245282 0.71 TAAR1 (0.39) CYP2D6TAAR1SIGMAR1SLC6A2MAOA

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-1897685-B1 FLUORORESIN MULTILAYER LAMINATE ASAHI GLASS CO LTD (JP) 2016-10-05 EP disclosed
US-7462396-B2 Multilayer laminate of fluororesin ASAHI GLASS COMPANY, LIMITED (JP) 2008-12-09 US disclosed
US-20080102285-A1 MULTILAYER LAMINATE OF FLUORORESIN ASAHI GLASS CO., LTD. (JP) 2008-05-01 US disclosed
EP-1897685-A1 FLUORORESIN MULTILAYER LAMINATE Asahi Glass Company, Limited (JP) 2008-03-12 EP disclosed