SCHEMBL29960495

SCHEMBL29960495

CC(C)(C)OC(=O)N1CCC2CCOc3ccccc3C2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
USP30 Q70CQ3 4/20 0.48
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL29960446 0.83 GPR119 (0.48) GPR119USP30JAK2JAK1KDM4E
SCHEMBL29960559 0.81 DRD2 (0.47) GPR119USP30JAK2JAK1KDM4E
SCHEMBL29960219 0.81 DRD2 (0.47) GPR119USP30JAK2JAK1KDM4E
SCHEMBL2227245 0.78 GPR119 (0.47) GPR119USP30JAK2JAK1PTPN2
SCHEMBL6422733 0.77 GPR119 (0.46) GPR119USP30KDM4EPKM
SCHEMBL15259715 0.76 USP30 (0.45) GPR119USP30
SCHEMBL7712465 0.76 GPR119 (0.56) GPR119JAK2JAK1PTPN2PTPN1
SCHEMBL5636127 0.76 HTR2A (0.45) GPR119USP30JAK2JAK1
SCHEMBL860735 0.74 DRD2 (0.43)
SCHEMBL860734 0.74 DRD2 (0.43)

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
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed