SCHEMBL29697602

SCHEMBL29697602

CC(C)(C)OC(=O)N1CCn2nc(CO)cc2C1.CC(C)(C)OC(=O)N1CCn2nc(CO)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.45
▸ GRM5 P41594 15/20 0.42
▸ ESR2 Q92731 1/20 0.41
▸ POLB P06746 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
SCHEMBL22435395 1.00 NR1H2 (0.45) NR1H2GRM5ESR2POLB
SCHEMBL24536068 0.93 NR1H2 (0.41) NR1H2GRM5ESR2POLB
SCHEMBL30030794 0.89 NR1H2 (0.44) NR1H2GRM5ESR2POLB
SCHEMBL31751712 0.89 NR1H2 (0.44) NR1H2GRM5ESR2POLB
SCHEMBL30793510 0.83 NR1H2 (0.40) NR1H2GRM5ESR2POLB
SCHEMBL12307404 0.83 NR1H2 (0.48) NR1H2GRM5ESR2POLB
SCHEMBL16682725 0.83 NR1H2 (0.42) NR1H2GRM5ESR2POLB
SCHEMBL14158771 0.82 NR1H2 (0.47) NR1H2GRM5ESR2POLB
SCHEMBL18183751 0.82 NR1H2 (0.47) NR1H2GRM5ESR2POLB
SCHEMBL12307412 0.82 NR1H2 (0.48) NR1H2GRM5ESR2POLB

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-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 — — EP disclosed
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