SCHEMBL26106789

SCHEMBL26106789

CC(C)(CN1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
HTR2C P28335 8/20 0.38
DRD2 P14416 4/20 0.38
DGAT1 O75907 1/20 0.34
USP30 Q70CQ3 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
HTR2A P28223 5/20 0.32
HRH1 P35367 4/20 0.32
HTR2B P41595 3/20 0.32
HTR4 Q13639 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL2322548 0.84 FFAR1 (0.46) FFAR1GSK3BDYRK1AACHE
SCHEMBL25810563 0.82 FFAR1 (0.43) FFAR1DGAT1USP30GSK3BDYRK1A
SCHEMBL320321 0.81 FFAR1 (0.42) FFAR1USP30DDB1CRBNACHE
SCHEMBL21626900 0.81 FFAR1 (0.44) FFAR1GSK3BDYRK1A
SCHEMBL25810566 0.80 FFAR1 (0.42) FFAR1DGAT1USP30GSK3BDYRK1A
SCHEMBL658691 0.79 FFAR1 (0.42) FFAR1
SCHEMBL28254657 0.79 FFAR1 (0.44) FFAR1DGAT1USP30DDB1CRBN
SCHEMBL2515083 0.79 FFAR1 (0.47) FFAR1DGAT1USP30
SCHEMBL28649940 0.78 FFAR1 (0.46) FFAR1USP30ACHE
SCHEMBL25810466 0.78 FFAR1 (0.42) FFAR1DGAT1USP30GSK3BDYRK1A

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-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed