SCHEMBL19785288

SCHEMBL19785288

CC(C)(C)OC(=O)N1CCC2(CC[C@H](O)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL20460883 1.00 GPR119 (0.46) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL24439202 0.91 CYP11B2 (0.44) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL29673993 0.91 CYP11B2 (0.44) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL19839242 0.91 CYP11B2 (0.44) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL485056 0.91 GPR119 (0.50) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL1474868 0.89 USP2 (0.49) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL22747737 0.86 CHRM2 (0.44) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL22915089 0.86 CHRM2 (0.44) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL29427120 0.86 CHRM2 (0.44) GPR119HPGDUSP2SMN1; SMN2EPHX2
SCHEMBL20461030 0.85 HPGD (0.49) GPR119HPGDUSP2SMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484856-B1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-11-15 EP disclosed
WO-2021033153-A1 PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-25 WO disclosed
WO-2018013597-A1 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-01-18 WO disclosed