SCHEMBL21590381

SCHEMBL21590381

Cc1cc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc(CO)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.44
▸ ACACB O00763 6/20 0.42
▸ GPR119 Q8TDV5 4/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ KRAS P01116 1/20 0.35
▸ RET P07949 1/20 0.35
▸ GPR4 P46093 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.35

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
SCHEMBL20510354 0.89 EGLN2 (0.49) EGLN2ACACBGPR119CYP11B2PARP1
SCHEMBL21594504 0.85 MAPT (0.47) GPR119
SCHEMBL21590390 0.83 TMEM97 (0.36) CYP11B2
SCHEMBL20468837 0.80 CYP11B2 (0.49) EGLN2ACACBGPR119CYP11B2PARP1
SCHEMBL20468832 0.80 CYP11B2 (0.52) EGLN2ACACBGPR119CYP11B2RORC
SCHEMBL20468835 0.80 ACACB (0.49) ACACBCYP11B2RORCPARP1RET
SCHEMBL12811247 0.78 EGLN2 (0.48) EGLN2ACACBGPR119CYP11B2KRAS
SCHEMBL7898697 0.77 MAPT (0.51) EGLN2GPR119
SCHEMBL21711129 0.77 CYP11B2 (0.53) ACACBCYP11B2PARP1RETSCD5
SCHEMBL20469135 0.77 CYP11B2 (0.53) ACACBCYP11B2PARP1RETSCD5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807271-A1 PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 — — EP disclosed
WO-2019238629-A1 PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 — — WO disclosed
Send feedback