SCHEMBL29531955

SCHEMBL29531955

CC(C)[C@@H](NC(=O)[C@H]1CCCN1)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 1/20 0.44
▸ CALCRL Q16602 1/20 0.43
▸ PRCP P42785 2/20 0.43
▸ CTSC P53634 2/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TLR2 O60603 1/20 0.37
▸ TERT O14746 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ECE1 P42892 1/20 0.37

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
SCHEMBL30052733 1.00 DPP7 (0.44) DPP7CALCRLPRCPCTSCBACE1
SCHEMBL29692512 0.90 TERT (0.44) DPP7CALCRLPRCPCTSCBACE1
SCHEMBL30005793 0.89 CALCRL (0.40) DPP7CALCRLPRCPCTSCBACE1
SCHEMBL2870216 0.89 DPP7 (0.44) DPP7CALCRLPRCPCTSCCYP1A2
SCHEMBL2870227 0.89 DPP7 (0.44) DPP7CALCRLPRCPCTSCCYP1A2
SCHEMBL29396785 0.86 DPP7 (0.46) DPP7PRCPCTSCCYP1A2CYP3A4
SCHEMBL29356386 0.86 BACE1 (0.43) DPP7CALCRLPRCPCTSCBACE1
SCHEMBL30353294 0.85 CALCRL (0.49) DPP7CALCRLPRCPCTSCBACE1
SCHEMBL21688326 0.83 DPP7 (0.43) DPP7CALCRLPRCPCTSCBACE1
SCHEMBL30051748 0.82 DPP7 (0.44) DPP7CALCRLPRCPCTSCBACE1

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
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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