SCHEMBL7748931

SCHEMBL7748931

COC(=O)[C@H](CCC(N)=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
FOLH1 Q04609 1/20 0.38
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA14 Q9ULX7 1/20 0.31
MEN1 O00255 1/20 0.31
LTA4H P09960 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPOR P19235 1/20 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
SCHEMBL3180140 0.83 FOLH1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3FOLH1
SCHEMBL1816128 0.82 GABRP (0.39) CHRNB2CHRNA4FOLH1DPP4DPP9
SCHEMBL20099695 0.78 ALOX15 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL197387 0.78 KMT2A (0.50) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL197386 0.78 KMT2A (0.50) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL23037168 0.78 KMT2A (0.50) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL1703489 0.76 EPOR (0.49) CHRNB2CHRNA4CHRNB4CHRNA3FOLH1
SCHEMBL1703488 0.76 EPOR (0.49) CHRNB2CHRNA4CHRNB4CHRNA3FOLH1
SCHEMBL10328425 0.75 SMN1; SMN2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A
SCHEMBL10328399 0.75 SMN1; SMN2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed