SCHEMBL8266435

SCHEMBL8266435

CCCCC(N)(CCCC)C(=O)NCCC1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 2/20 0.46
▸ TPSD1 Q9BZJ3 2/20 0.46
▸ TPSG1 Q9NRR2 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ BCHE P06276 3/20 0.45
▸ ACHE P22303 3/20 0.45
▸ GRIN2B Q13224 8/20 0.44
▸ CYP2D6 P10635 4/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ FAAH O00519 1/20 0.43
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ PRCP P42785 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
SCHEMBL19658451 0.81 SMN1; SMN2 (0.54) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL13558785 0.81 TPSAB1 (0.45) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL9144556 0.79 HTT (0.51) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL19652100 0.79 SMN1; SMN2 (0.51) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL19658635 0.78 BCHE (0.49) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL13597265 0.78 SMN1; SMN2 (0.64) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL8764844 0.77 HTT (0.60) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL3652558 0.76 SMN1; SMN2 (0.61) TPSAB1TPSD1TPSG1HTTSMN1; SMN2
SCHEMBL14794935 0.75 SMN1; SMN2 (0.63) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12889378 0.75 SMN1; SMN2 (0.63) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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
WO-2006065277-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-06-22 — — WO disclosed
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