SCHEMBL13879329

SCHEMBL13879329

CC(=O)C(N)Cc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 12/20 0.40
▸ DPP7 Q9UHL4 8/20 0.40
▸ DPP8 Q6V1X1 7/20 0.40
▸ DPP9 Q86TI2 7/20 0.40
▸ FAP Q12884 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL27559390 0.90 SLC7A5 (0.50) ALDH1A1GLAHPGDKMT2A
SCHEMBL27537681 0.83 CHRM2 (0.41) DPP4DPP7DPP8DPP9FAP
SCHEMBL14542190 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AGAA
SCHEMBL6224387 0.78 ALDH1A1 (0.48) ALDH1A1GLAHPGDKMT2A
SCHEMBL3936988 0.78 LMNA (0.54) ALDH1A1KMT2A
SCHEMBL27559389 0.77 ALDH1A1 (0.39) ALDH1A1GLAHPGDKMT2A
SCHEMBL27559373 0.77 KMT2A (0.38) ALDH1A1GLAHPGDKMT2AGAA
SCHEMBL14542192 0.76 GAA (0.48) DPP4ALDH1A1KMT2AGAA
SCHEMBL3146950 0.75 ALDH1A1 (0.63) ALDH1A1
SCHEMBL17533290 0.73 ALDH1A1 (0.44) ALDH1A1

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-1945621-B1 PROCESS TO PREPARE AMINO ACID DERIVATIVES REDDY S LAB EU LTD DR (GB) 2009-04-15 — — EP disclosed
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