SCHEMBL29960735

SCHEMBL29960735

N#CCC1COCc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
IDO1 P14902 1/20 0.31
HTR6 P50406 1/20 0.30
HTR2A P28223 3/20 0.30
RET P07949 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL17061157 0.83 NOTUM (0.33) HTR6HTR2ARETHTR2CHRH1
SCHEMBL8367488 0.77 HTR2A (0.34) HTR2AHTR2CHRH1
SCHEMBL7950524 0.77 MTNR1A (0.33) HTR6HTR2ARETHTR2CHRH1
SCHEMBL16061146 0.77 HTR2A (0.42) HTR2A
Hydrochloric Acid SCHEMBL29960643 0.76 HTR2A (0.46) MEN1KMT2AHTR2ARETHTR2C
SCHEMBL29960263 0.75 HTR2A (0.47) HTR6HTR2ARETHTR2CHRH1
SCHEMBL627090 0.74 HTR6 (0.50) IDO1HTR6HTR2ARET
SCHEMBL300098 0.74 NOTUM (0.32) HTR2A
SCHEMBL19852205 0.73 NOTUM (0.33) SIGMAR1HTR6HTR2ARETHTR2C
SCHEMBL24115366 0.72 PSMB5 (0.41) MEN1KMT2AHTR2AHTR2C

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