SCHEMBL21429034

SCHEMBL21429034

CC(C)CC(NC(=O)C1CCCN1)C(=O)NCC1(NCC(=O)O)CNC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRCP P42785 1/20 0.34
▸ REN P00797 1/20 0.34
▸ CAPN1 P07384 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CAPN9 O14815 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ TLR2 O60603 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL22928945 1.00 DPP7 (0.35) DPP7MEN1KMT2APRCPREN
SCHEMBL1369567 0.84 DPP7 (0.43) DPP7MEN1KMT2APRCPREN
SCHEMBL1369569 0.84 DPP7 (0.43) DPP7MEN1KMT2APRCPREN
SCHEMBL27544763 0.84 DPP7 (0.43) DPP7MEN1KMT2APRCPREN
SCHEMBL22928944 0.84 CTSK (0.42) RENCTSBCTSCCTSSCTSK
Hydrochloric Acid SCHEMBL10794167 0.83 MEN1 (0.43) DPP7MEN1KMT2APRCPREN
SCHEMBL10789606 0.80 TERT (0.40) DPP7MEN1KMT2APRCPREN
SCHEMBL10789594 0.80 TERT (0.40) DPP7MEN1KMT2APRCPREN
Succinimide SCHEMBL10793991 0.80 TERT (0.39) DPP7MEN1KMT2APRCPREN
Succinimide SCHEMBL10793998 0.80 TERT (0.39) DPP7MEN1KMT2APRCPREN

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-2019186174-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2019-10-03 — — WO disclosed
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