SCHEMBL8403380

SCHEMBL8403380

Cc1ccc(NC(=O)C(F)(F)F)c2c1OCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.38
▸ ANO1 Q5XXA6 9/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ANO2 Q9NQ90 1/20 0.37
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BLM P54132 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
SCHEMBL25128559 0.79 ANO1 (0.35) ADRA2AANO1SMN1; SMN2TP53MAPT
SCHEMBL8405478 0.78 PTGES (0.39) ANO1SMN1; SMN2TP53MAPTMTNR1A
SCHEMBL25128558 0.78 ANO1 (0.34) ADRA2AANO1SMN1; SMN2TP53MAPT
SCHEMBL13216300 0.75 ALDH1A1 (0.41) ADRA2AMAPTMTNR1AMTNR1BKDM4E
SCHEMBL25128560 0.73 F2 (0.35) ADRA2AANO1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL25692525 0.72 L3MBTL1 (0.40) SMN1; SMN2MAPTMAOAKDM4ELMNA
SCHEMBL8545657 0.71 PARP1 (0.49) ADRA2ATP53MAPTL3MBTL1
SCHEMBL25128557 0.70 ANO1 (0.38) ADRA2AANO1TP53MAPTPDK1
SCHEMBL26705459 0.69 ANO1 (0.40) ADRA2AANO1SMN1; SMN2TP53MAPT
SCHEMBL7490063 0.69 PTGES (0.41) SMN1; SMN2MAPTL3MBTL1

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
US-5914342-A 2-imidazolinylamino heterocyclic compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1999-06-22 — — US disclosed
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