SCHEMBL10901967

SCHEMBL10901967

CC(C)C[C@H](NC[C@@H]1CCCN1C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPNPEP1 Q9NQW7 1/20 0.44
KMT2A Q03164 2/20 0.41
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.36
ACE2 Q9BYF1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.34
ACE P12821 5/20 0.34
REN P00797 2/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
LTA4H P09960 1/20 0.34

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
SCHEMBL10904118 0.84 KMT2A (0.46) XPNPEP1KMT2ADPP4DPP8DPP9
SCHEMBL10903577 0.83 XPNPEP1 (0.40) XPNPEP1KMT2ADPP4DPP8DPP9
SCHEMBL10903580 0.83 XPNPEP1 (0.40) XPNPEP1KMT2ADPP4DPP8DPP9
SCHEMBL10903563 0.79 ACE2 (0.56) KMT2ALMNAACE2L3MBTL1KDM4E
SCHEMBL10903562 0.79 ACE2 (0.56) KMT2ALMNAACE2L3MBTL1KDM4E
SCHEMBL10903553 0.77 XPNPEP1 (0.44) XPNPEP1DPP4DPP8DPP9DPP7
SCHEMBL10903555 0.77 XPNPEP1 (0.44) XPNPEP1DPP4DPP8DPP9DPP7
SCHEMBL14856704 0.77 HSP90AA1 (0.43)
SCHEMBL14856478 0.77 HSP90AA1 (0.43)
SCHEMBL14856477 0.77 HSP90AA1 (0.43)

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
US-4596819-A Antidepressive agents WARNER-LAMBERT COMPANY (US) 1986-06-24 US disclosed