SCHEMBL6407909

SCHEMBL6407909

NC(=O)OCCN(CCO)CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HTR1A P08908 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL29260591 0.87 LMNA (0.39) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL28537728 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Trolamine SCHEMBL28203491 0.80 ALOX15 (0.65) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL7599665 0.80 ALOX15 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL29025295 0.78 CHRNB2 (0.46) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL8939915 0.77 CYP2D6 (0.51) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1909276 0.77 ALDH1A1 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL15221517 0.77 ALDH1A1 (0.43) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Trolamine SCHEMBL14990729 0.77 KDM4E (0.44) CHRM2LMNATSHRCYP2C19ALOX15
SCHEMBL26521321 0.77 CHRNB2 (0.61) CHRNB2CHRNA4CHRM2CHRM4CHRM5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184538-A Lung high-expression cationic lipid compound, composition containing same and application 北京悦康科创医药科技股份有限公司 2024-06-14 CN disclosed
US-6852709-B2 Biologically useful polyphosphates JOHNS HOPKINS UNIVERSITY (US) 2005-02-08 US disclosed
WO-2001091725-A9 BIOLOGICALLY USEFUL POLYPHOSPHATES UNIV JOHNS HOPKINS (US) 2003-02-06 WO disclosed
EP-1266900-A1 Carbamates of rapamycin Wyeth (US) 2002-12-18 EP disclosed
US-20020045263-A1 Biodegradable particles for use in time release agents and gene therapy JOHN HOPKINS UNIVERSITY 2002-04-18 US disclosed
WO-2001091725-A2 BIOLOGICALLY USEFUL POLYPHOSPHATES UNIV JOHNS HOPKINS (US) 2001-12-06 WO disclosed
US-5411967-A Antiinflammatory, immunosuppressant, antitumor AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-02 US disclosed
EP-0593227-A1 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-20 EP disclosed
US-5302584-A Immunosuppressants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-04-12 US disclosed