SCHEMBL29686152

SCHEMBL29686152

Cc1cccc(CC2(O)CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 3/20 0.49
PKLR P30613 1/20 0.49
GRM5 P41594 2/20 0.48
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP11B2 P19099 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
RET P07949 1/20 0.39
POLB P06746 1/20 0.39
KDM1A O60341 1/20 0.39
TACR1 P25103 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
SCHEMBL16049607 1.00 GPR4 (0.49) GPR4PKLRGRM5JAK2JAK1
SCHEMBL1054762 0.87 POLB (0.43) GPR4GRM5JAK2JAK1OPRD1
SCHEMBL16049825 0.87 PKLR (0.48) GPR4PKLRGRM5OPRD1OPRK1
SCHEMBL7840748 0.86 GRM5 (0.47) GPR4GRM5JAK2JAK1OPRD1
SCHEMBL26081092 0.85 IDH1 (0.49) GPR4OPRD1OPRK1CYP11B2KDM1A
SCHEMBL7838737 0.85 GRM5 (0.48) GPR4GRM5JAK2JAK1OPRD1
SCHEMBL1088021 0.82 CYP46A1 (0.54) PKLRGRM5JAK2JAK1OPRD1
SCHEMBL30585014 0.82 CYP46A1 (0.54) PKLRGRM5JAK2JAK1OPRD1
SCHEMBL13452533 0.82 USP2 (0.41) GPR4PKLRGRM5JAK2JAK1
SCHEMBL7511633 0.82 BACE1 (0.45) GPR4OPRD1OPRK1CYP11B2ALOX15

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-3523302-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-07-20 EP disclosed