SCHEMBL6163787

SCHEMBL6163787

NC(=O)OCOC1CCN(C(=O)[CH]Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CAPN1 P07384 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TEAD3 Q99594 2/20 0.38
TEAD1 P28347 1/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7360691 0.81 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19RAB9AGAAL3MBTL1
SCHEMBL3135799 0.78 LSS (0.41) LMNABCHE
SCHEMBL4086562 0.77 LSS (0.45) F2PRSS1BCHE
SCHEMBL27463118 0.76 LMNA (0.48) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6164881 0.75 LTA4H (0.49) HTT
SCHEMBL4086461 0.74 ADRB2 (0.41) SMN1; SMN2LMNAGAAF2PRSS1
SCHEMBL4422938 0.73 NPC1 (0.53) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL6161203 0.72 MAPK1 (0.40) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL7977833 0.72 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19NPC1RAB9AGAA
SCHEMBL7975223 0.72 HPGD (0.47) SMN1; SMN2CAPN1GAAF2PRSS1

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-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed