SCHEMBL23314729

SCHEMBL23314729

CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)C[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.46
▸ PREP P48147 1/20 0.43
▸ FAP Q12884 1/20 0.43
▸ PEPD P12955 1/20 0.42
▸ PIK3CD O00329 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MBOAT4 Q96T53 1/20 0.31
▸ DPP4 P27487 3/20 0.31
▸ DPP8 Q6V1X1 3/20 0.31
▸ DPP9 Q86TI2 3/20 0.31

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
SCHEMBL17282614 0.88 PIN1 (0.46) PIN1PREPFAPPEPDPIK3CD
SCHEMBL17282586 0.88 PIN1 (0.46) PIN1PREPFAPPEPDPIK3CD
SCHEMBL17282582 0.84 PIN1 (0.63) PIN1PREPFAPPEPDPIK3CD
SCHEMBL8203665 0.79 ATM (0.48) PIN1PEPDMMP2ANPEPATM
SCHEMBL17282580 0.77 PREP (0.52) PIN1PREPFAPMBOAT4DPP4
SCHEMBL15110042 0.75 ATM (0.63) PREPFAPPIK3CDATMDPP4
SCHEMBL16267210 0.75 ATM (0.63) PREPFAPPIK3CDATMDPP4
SCHEMBL15110041 0.75 ATM (0.63) PREPFAPPIK3CDATMDPP4
SCHEMBL23314580 0.75 PREP (0.61) PREPFAPPEPDDPP4DPP8
SCHEMBL16267049 0.75 ATM (0.63) PREPFAPPIK3CDATMDPP4

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-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
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