SCHEMBL6847411

SCHEMBL6847411

CN(C)CCC(C)(C)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
OPRM1 P35372 2/20 0.31

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
SCHEMBL11801172 0.84 ALDH1A1 (0.41) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL6841763 0.81 MAPT (0.48) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL9621390 0.78 MAPT (0.43) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL6130157 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL16256528 0.74 DRD2 (0.36) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL7058015 0.74 ARG1 (0.33)
SCHEMBL6839825 0.74 MAPT (0.39) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL17030310 0.72 HTR1A (0.35) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL27424910 0.72 DNM1 (0.38) MAPTDRD2HTR1AHTR2AHTR7
SCHEMBL16455779 0.72 MAPT (0.38) MAPTDRD2HTR1AHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197890-C Process for producing polyurethane KAO CORP (JP) 2005-04-20 CN disclosed
US-6767929-B2 CATALYSIS USING DIALKYLAMINOALKYL ALCOHOL KAO CORPORATION (JP) 2004-07-27 US disclosed
CN-1433437-A Process for producing polyurethane KAO CORP (JP) 2003-07-30 CN disclosed
EP-1270630-A1 PROCESS FOR PRODUCING POLYURETHANE Kao Corporation (JP) 2003-01-02 EP disclosed
US-20030004220-A1 Process for producing polyurethane KAO CORPORATION (JP) 2003-01-02 US disclosed