SCHEMBL29959933

SCHEMBL29959933

CC(C)(C)OC(=O)NCC1CCOCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
NAMPT P43490 4/20 0.41
ACACB O00763 6/20 0.41
ACACA Q13085 3/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
KDM4A O75164 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL29960795 0.88 DRD2 (0.45) DRD2MTNR1AMTNR1BNAMPTACACB
SCHEMBL29960335 0.81 ACACB (0.44) DRD2NAMPTACACBACACACKS1B
SCHEMBL27214605 0.75 HTR1A (0.40) DRD2MTNR1AMTNR1BACACBACACA
SCHEMBL29923119 0.75 HTR1A (0.40) DRD2MTNR1AMTNR1BACACBACACA
SCHEMBL29923116 0.75 HTR1A (0.40) DRD2MTNR1AMTNR1BACACBACACA
SCHEMBL29923181 0.75 HTR1A (0.40) DRD2MTNR1AMTNR1BACACBACACA
SCHEMBL29923228 0.75 HTR1A (0.40) DRD2MTNR1AMTNR1BACACBACACA
Hydrochloric Acid SCHEMBL29960397 0.74 HTR2A (0.45)
SCHEMBL29960757 0.72 ACACB (0.39) DRD2ACACBACACACKS1BSKP1
SCHEMBL29960742 0.72 FFAR1 (0.46)

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