SCHEMBL6979538

SCHEMBL6979538

C[Si](C)(C)CCOCOCc1cccc(OCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.46
PKM P14618 1/20 0.37
KCNH2 Q12809 1/20 0.36
NUDT1 P36639 1/20 0.35
GRM5 P41594 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.34
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
GABRA5 P31644 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6984262 0.75 KCNH2 (0.31) KCNH2
SCHEMBL6981932 0.75 MBOAT4 (0.35) KCNH2
SCHEMBL2632843 0.74 TRPV3 (0.56) TRPV3PKMKCNH2NUDT1GRM5
SCHEMBL2524154 0.73 L3MBTL1 (0.52) TRPV3PKMNUDT1GRM5L3MBTL1
SCHEMBL24754816 0.73 TRPV3 (0.57) TRPV3PKMKCNH2NUDT1GRM5
SCHEMBL29460875 0.72 TSHR (0.56) L3MBTL1TDP1HTTSMN1; SMN2LMNA
SCHEMBL30931690 0.71 TRPV3 (0.52) TRPV3KCNH2NUDT1GRM5L3MBTL1
SCHEMBL23121539 0.71 TRPV3 (0.52) TRPV3KCNH2NUDT1GRM5L3MBTL1
SCHEMBL7832327 0.71 TRPV3 (0.52) TRPV3PKMKCNH2NUDT1GRM5
SCHEMBL7840899 0.71 TRPV3 (0.59) TRPV3PKMKCNH2NUDT1GRM5

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
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed
EP-0946546-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1999-10-06 EP disclosed
WO-1998022459-A1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 1998-05-28 WO disclosed