SCHEMBL29960795

SCHEMBL29960795

CC(C)(C)OC(=O)NCC1COCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
NAMPT P43490 4/20 0.42
EPHX2 P34913 1/20 0.42
ACACB O00763 5/20 0.40
KDM4A O75164 1/20 0.39
ACACA Q13085 3/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL29959933 0.88 DRD2 (0.46) DRD2MTNR1AMTNR1BNAMPTEPHX2
SCHEMBL30782840 0.82 DRD2 (0.36) DRD2MTNR1AMTNR1BNAMPTEPHX2
SCHEMBL31554107 0.76 ACACB (0.37) DRD2ACACBACACACKS1BSKP1
SCHEMBL30782926 0.75 JAK2 (0.37) DRD2
SCHEMBL29960335 0.73 ACACB (0.44) DRD2NAMPTACACBACACACKS1B
Hydrochloric Acid SCHEMBL29960736 0.73 HTR2A (0.47)
SCHEMBL3669796 0.73 ACACB (0.35) DRD2NAMPTACACBACACACKS1B
SCHEMBL29182095 0.72 DRD2 (0.46) DRD2MTNR1AMTNR1BNAMPTEPHX2
SCHEMBL24631409 0.71 DRD2 (0.43) DRD2MTNR1AMTNR1BNAMPTEPHX2
SCHEMBL30134696 0.71 DRD2 (0.43) DRD2MTNR1AMTNR1BNAMPTEPHX2

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