SCHEMBL16696001

SCHEMBL16696001

C[C@@H](O)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.49
▸ CTSB P07858 1/20 0.49
▸ ACE P12821 7/20 0.39
▸ XPNPEP2 O43895 1/20 0.39
▸ REN P00797 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PEPD P12955 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL19138277 0.88 CAPN1 (0.62) CAPN1CTSBSLC6A2
SCHEMBL19138367 0.88 CAPN1 (0.62) CAPN1CTSBSLC6A2
SCHEMBL19138299 0.88 CAPN1 (0.62) CAPN1CTSBSLC6A2
SCHEMBL19138278 0.88 CAPN1 (0.62) CAPN1CTSBSLC6A2
SCHEMBL3778456 0.85 DPP4 (0.49) ACERENKDM4EF2LMNA
SCHEMBL29860395 0.81 CAPN1 (0.43) CAPN1CTSBACERENKDM4E
SCHEMBL16695995 0.80 DPP4 (0.56) CAPN1CTSBACEXPNPEP2REN
SCHEMBL21549057 0.80 DPP4 (0.56) CAPN1CTSBACEXPNPEP2REN
SCHEMBL26616435 0.80 PREP (0.47) ACERENKDM4EF2LMNA
SCHEMBL26616445 0.80 PREP (0.47) ACERENKDM4EF2LMNA

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
WO-2015065891-A1 NMDA RECEPTOR MODULATORS AND PRODRUGS, SALTS, AND USES THEREOF NAUREX, INC. (US) 2015-05-07 — — WO disclosed
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