SCHEMBL3418111

SCHEMBL3418111

CC(c1cccc(OCc2ccccc2)c1)N(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.56
ACHE P22303 10/20 0.56
MAOB P27338 3/20 0.55
ALOX5 P09917 1/20 0.55
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.52
SGMS2 Q8NHU3 1/20 0.51
FAAH O00519 1/20 0.50

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
SCHEMBL684282 0.84 MAOB (0.62) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL1566108 0.82 KMT2A (0.60) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL2749197 0.81 KMT2A (0.63) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL28969190 0.81 MAOB (0.58) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL12221485 0.81 KMT2A (0.61) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL23923495 0.81 KMT2A (0.61) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL27733470 0.81 MAOB (0.58) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL31748975 0.81 KMT2A (0.61) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL29216490 0.81 KMT2A (0.58) BCHEMAOBALOX5KMT2ASMN1; SMN2
SCHEMBL5772666 0.81 SMN1; SMN2 (0.67) BCHEMAOBALOX5KMT2ASMN1; SMN2

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-101823970-B Synthetic method of rivastigmine and intermediates thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2013-05-08 CN claimed
CN-101823970-A Synthetic method of rivastigmine and intermediates thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2010-09-08 CN claimed
CN-101823970-B Synthetic method of rivastigmine and intermediates thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2013-05-08 CN disclosed
WO-2010099745-A1 PREPARATION METHODS OF RIVASTIGMINE AND ITS INTERMEDIATE 江苏恩华药业股份有限公司 (CN) 2010-09-10 WO disclosed
CN-101823970-A Synthetic method of rivastigmine and intermediates thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2010-09-08 CN disclosed