SCHEMBL28478640

SCHEMBL28478640

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 6/20 0.53
▸ CTSB P07858 1/20 0.52
▸ DPP4 P27487 7/20 0.51
▸ DPP7 Q9UHL4 6/20 0.51
▸ PREP P48147 3/20 0.51
▸ XIAP P98170 1/20 0.47
▸ OPRM1 P35372 1/20 0.41
▸ ELANE P08246 2/20 0.41
▸ FAP Q12884 3/20 0.40
▸ DPP8 Q6V1X1 3/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ PITRM1 Q5JRX3 1/20 0.40
▸ SLC6A2 P23975 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
SCHEMBL28478644 1.00 CAPN1 (0.53) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL21549060 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL22213513 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL20814039 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL23859842 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL23859841 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL25266713 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL23753673 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL20678315 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP
Rapastinel SCHEMBL14908334 0.95 CAPN1 (0.59) CAPN1CTSBDPP4DPP7PREP

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
CN-111920412-A Methods of treating brain disorders or identifying biomarkers associated therewith 西北大学 2020-11-13 — — CN disclosed
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