SCHEMBL12201731

SCHEMBL12201731

Bc1cc(F)ccc1[C@@H](C)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE2A O00408 2/20 0.38
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ METAP2 P50579 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ CA3 P07451 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ F2RL1 P55085 5/20 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
SCHEMBL12202047 0.83 MEN1 (0.40) MEN1KMT2APDE2ACES2CES1
SCHEMBL24013661 0.83 MEN1 (0.40) MEN1KMT2APDE2ACES2CES1
SCHEMBL29453648 0.78 CES2 (0.52) MEN1KMT2APDE2ACES2CES1
SCHEMBL15853708 0.78 CES2 (0.52) MEN1KMT2APDE2ACES2CES1
SCHEMBL1998132 0.78 CES2 (0.52) MEN1KMT2APDE2ACES2CES1
SCHEMBL17947416 0.78 CES2 (0.52) MEN1KMT2APDE2ACES2CES1
SCHEMBL30134348 0.77 MEN1 (0.41) MEN1KMT2APDE2ACES2CES1
SCHEMBL17215607 0.77 MEN1 (0.41) MEN1KMT2APDE2ACES2CES1
SCHEMBL30809607 0.77 CA3 (0.48) MEN1KMT2APDE2ACES2CES1
SCHEMBL24869041 0.77 MEN1 (0.41) MEN1KMT2APDE2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 — — EP disclosed
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