SCHEMBL27439720

SCHEMBL27439720

COc1ccc(C2CCCCN2)c(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.43
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL22720995 0.84 MEN1 (0.60) MEN1KMT2APDCD1LG2CD274HSD11B1
SCHEMBL11551138 0.78 LMNA (0.42) MEN1KMT2ALMNAPOLBTUBB4A
SCHEMBL19689047 0.78 MEN1 (0.59) MEN1KMT2APOLBPDCD1LG2CD274
SCHEMBL24168763 0.76 MEN1 (0.54) MEN1KMT2A
SCHEMBL31472389 0.76 MEN1 (0.89) MEN1KMT2AKDM4E
SCHEMBL27343153 0.76 LMNA (0.41) MEN1KMT2ALMNAPOLBTUBB4A
SCHEMBL21491464 0.76 MEN1 (0.89) MEN1KMT2AKDM4E
SCHEMBL21516972 0.76 MEN1 (0.69) MEN1KMT2A
SCHEMBL29456488 0.76 MEN1 (0.69) MEN1KMT2A
SCHEMBL16610538 0.75 MEN1 (0.73) MEN1KMT2APDCD1LG2CD274HSD11B1

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
CN-1230554-C Method for enzymatic enantiomer-separation of 3(R)-and 3(S)-hydroxy-1-methyl-4-(2,4,6-trimethoxyphenyl)-1,2,3,6-tetrahydro-pyridine or its carboxylic acid esters AWENTIS MEDICINE DEUTSCHE AG (DE) 2005-12-07 CN disclosed
CN-1137096-C Process for the preparation of (-) cis-3-hydroxy-1-methyl-4- (2,4, 6-trimethoxyphenyl) -piperidine ���ĵ�˹ҩ��¹����޹�˾ 2004-02-04 CN disclosed
CN-1292034-A Method for the enzymatic separation of enantiomers of 3 -and 3(S) -hydroxy-1-methyl-4- (2,4, 6-trimethoxyphenyl) -1, 2,3, 6-tetrahydropyridine or its carboxylic esters AWENTIS MEDICINE DEUTSCHE AG (DE) 2001-04-18 CN disclosed
CN-1284065-A Method for producing (-) Cis-3-hydroxy-1-methyl-4-(2,4,6-trimethoxyphenyl)-piperidine AVENTIES PHARMACEUTICAL DEUTSC (DE) 2001-02-14 CN disclosed