SCHEMBL29936637

SCHEMBL29936637

CO[C@H]1CCN(C(=O)O)C[C@H]1N

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
OPRK1 P41145 3/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20598843 1.00 GAA (0.33) GAAOPRK1LMNANPC1RAB9A
SCHEMBL29187947 1.00 GAA (0.33) GAAOPRK1LMNANPC1RAB9A
SCHEMBL9532921 0.86 OPRK1 (0.34) GAAOPRK1LMNANPC1RAB9A
SCHEMBL2827553 0.86 OPRK1 (0.34) GAAOPRK1LMNANPC1RAB9A
SCHEMBL8359388 0.86 OPRK1 (0.34) GAAOPRK1LMNANPC1RAB9A
SCHEMBL9532910 0.86 OPRK1 (0.34) GAAOPRK1LMNANPC1RAB9A
SCHEMBL2847058 0.86 OPRK1 (0.34) GAAOPRK1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL3114222 0.84 OPRK1 (0.33) GAAOPRK1LMNANPC1RAB9A
SCHEMBL3307873 0.83
SCHEMBL18956885 0.83

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-3288943-B1 PYRROLO[2,3-B]PYRAZINYL ACRYLAMIDES AND EPOXIDES THEREOF AS INHIBITORS OF JANUS KINASE PFIZER (US) 2022-09-28 EP disclosed