SCHEMBL27818699

SCHEMBL27818699

CN1CCN(c2cccc(OB(O)O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.56
▸ HTR3A P46098 1/20 0.50
▸ AGXT P21549 1/20 0.50
▸ DRD2 P14416 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ FAAH O00519 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PLOD2 O00469 1/20 0.43
▸ PLOD3 O60568 1/20 0.43
▸ PLOD1 Q02809 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ HTR1D P28221 1/20 0.43

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
SCHEMBL17803140 0.85 MEN1 (0.49) AGXTDRD2KCNH2FAAHNPC1
SCHEMBL5210514 0.81 GAA (0.52) ADRA2CHTR3ADRD2NPC1MAPT
SCHEMBL27756289 0.81 KMO (0.53) AGXTFAAHNPC1MAPTMEN1
SCHEMBL1372927 0.80 KCNH2 (0.69) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL12968842 0.77 ADRA2C (0.56) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL29554265 0.77 ADRA2C (0.59) ADRA2CHTR3AAGXTDRD2NPC1
SCHEMBL2557935 0.77 ADRA2C (0.59) ADRA2CHTR3AAGXTDRD2NPC1
SCHEMBL2599616 0.77 ADRA2C (0.59) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL25492995 0.75 ADRA2C (0.57) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL3592917 0.75 ADRA2C (0.57) ADRA2CHTR3AAGXTDRD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101888877-A Pyridine derivatives for the treatment of amyloid-related diseases SENEXIS LTD 2010-11-17 — — CN disclosed
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