Sugi Predict

Sugi Predict / Compounds / SCHEMBL5466007

SCHEMBL5466007

SCHEMBL5466007

CC1(c2ccccc2)CCCC(C)(c2ccccc2)N1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ HSD11B1 P28845 2/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ PRCP P42785 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL3389800 0.91 ALDH1A1 (0.43) ALDH1A1AKR1C1OPRM1OPRK1OPRL1
SCHEMBL444598 0.90 ALDH1A1 (0.38) ALDH1A1AKR1C1OPRM1OPRK1OPRL1
SCHEMBL440389 0.82 ALDH1A1 (0.40) ALDH1A1AKR1C1OPRM1OPRK1OPRL1
SCHEMBL6317684 0.79 ALDH1A1 (0.41) ALDH1A1AKR1C1OPRM1OPRK1OPRL1
SCHEMBL3904043 0.76 ALDH1A1 (0.36) ALDH1A1SLC18A3
SCHEMBL18812549 0.75 OPRM1 (0.46) OPRM1OPRK1OPRL1GRIN2DGRIN3B
SCHEMBL444597 0.75 ALDH1A1 (0.38) ALDH1A1AKR1C1OPRM1OPRK1OPRL1
SCHEMBL8552014 0.73 GRIN2D (0.48) OPRM1HSD11B1GRIN2DGRIN3BCYP2B6
SCHEMBL4296257 0.73 OPRM1 (0.44) ALDH1A1OPRM1GRIN2DGRIN3BCYP2B6
SCHEMBL23355097 0.72 ALDH1A1 (0.39) ALDH1A1OPRM1OPRK1OPRL1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592392-B2 Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry MERCK & CO. INC. (US) 2009-09-22 — — US disclosed
US-7592392-B2 Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry MERCK & CO. INC. (US) 2009-09-22 — — US disclosed
US-20070106022-A1 Thermoplastic molding compositions BASF AKTIENGESELLSCHAFT (DE) 2007-05-10 — — US disclosed
EP-1678257-A1 THERMOPLASTIC MOLDING COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-07-12 — — EP disclosed
WO-2005040281-A1 THERMOPLASTIC MOLDING COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2005-05-06 — — WO disclosed
WO-2004108783-A1 BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2004-12-16 — — WO disclosed
EP-1175452-B1 BLOCK COPOLYMERS AND METHOD FOR PRODUCING THEM BASF AG (DE) 2004-06-30 — — EP disclosed
EP-1175452-A1 METHOD FOR PRODUCING BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2002-01-30 — — EP disclosed
EP-1068244-A1 METHOD FOR PRODUCING COPOLYMERS FROM FUNCTIONALISED OLEFINICALLY UNSATURATED MONOMERS AND NON-POLAR OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-01-17 — — EP disclosed
WO-2000063267-A1 METHOD FOR PRODUCING BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 2000-10-26 — — WO disclosed
WO-1999047569-A1 METHOD FOR PRODUCING COPOLYMERS FROM FUNCTIONALISED OLEFINICALLY UNSATURATED MONOMERS AND NON-POLAR OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-23 — — WO disclosed
EP-0876413-A1 POLYMERS SUITABLE AS DISPERSING RESINS BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 — — EP disclosed
WO-1997027582-A1 MAGNETIC RECORDING MEDIUM EMTEC MAGNETICS GMBH (DE) 1997-07-31 — — WO disclosed
WO-1997027232-A1 POLYMERS SUITABLE AS DISPERSING RESINS BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 — — WO disclosed