SCHEMBL23394685

SCHEMBL23394685

C[C@H](NC(=O)O)C(=O)N1CC[C@@H](C)[C@H]1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 5/20 0.37
▸ FAP Q12884 3/20 0.37
▸ PIK3CA P42336 7/20 0.36
▸ PIK3CB P42338 7/20 0.36
▸ TACR1 P25103 1/20 0.34
▸ PIK3CD O00329 6/20 0.33
▸ PIK3CG P48736 6/20 0.33
▸ PI4KB Q9UBF8 3/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ GRB2 P62993 1/20 0.33
▸ ITGB3 P05106 2/20 0.32
▸ ITGA2B P08514 2/20 0.32
▸ XIAP P98170 1/20 0.32
▸ BIRC3 Q13489 1/20 0.32
▸ BIRC2 Q13490 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30

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
SCHEMBL18675246 0.86 PIK3CA (0.37) PREPFAPPIK3CAPIK3CBTACR1
SCHEMBL21086436 0.82 PREP (0.35) PREPFAPTACR1ITGB3ITGA2B
SCHEMBL20629567 0.82 PIK3CA (0.39) PIK3CAPIK3CBTACR1PIK3CDPIK3CG
SCHEMBL23394561 0.80 CCKBR (0.34) PREPFAPTACR1ITGB3ITGA2B
SCHEMBL18771926 0.79 PREP (0.32) PREPFAPPIK3CAPIK3CBPIK3CD
SCHEMBL18771568 0.79 DPP4 (0.31) PREPFAPDPP4
SCHEMBL26616440 0.75 PREP (0.47) PREPFAP
SCHEMBL26616445 0.75 PREP (0.47) PREPFAP
SCHEMBL26616435 0.75 PREP (0.47) PREPFAP
SCHEMBL17282592 0.73 PREP (0.49) PREPFAPPIK3CAPIK3CBTACR1

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-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 — — EP disclosed
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