SCHEMBL9237266

SCHEMBL9237266

O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)N3CCC(Cc4ccccc4)CC3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.72
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HTT P42858 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55

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
SCHEMBL3600315 0.84 FAAH (1.00) FAAHKMT2AMEN1SMN1; SMN2POLB
SCHEMBL9238946 0.84 POLB (0.53) FAAHPOLBNAMPT
SCHEMBL7238932 0.84 POLB (0.68) FAAHKMT2AMEN1SMN1; SMN2HTT
SCHEMBL10719972 0.83 HTT (0.78) KMT2AMEN1SMN1; SMN2HTTCA12
SCHEMBL7233426 0.81 HTT (0.62) FAAHKMT2AMEN1SMN1; SMN2HTT
SCHEMBL7248523 0.81 FAAH (0.82) FAAHKMT2AMEN1SMN1; SMN2POLB
SCHEMBL13234936 0.81 FAAH (0.82) FAAHKMT2AMEN1SMN1; SMN2POLB
SCHEMBL3598122 0.81 FAAH (1.00) FAAHKMT2AMEN1SMN1; SMN2POLB
SCHEMBL7232379 0.80 HTT (0.73) KMT2AMEN1HTTCA12CA1
SCHEMBL10762328 0.79 ACHE (0.63) KMT2AMEN1HTTCA12CA1

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
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed