SCHEMBL25793692

SCHEMBL25793692

Cc1ccc(OC2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.37
SYK P43405 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
PDE2A O00408 3/20 0.34
PDE10A Q9Y233 3/20 0.34
APP P05067 1/20 0.34
GRM5 P41594 3/20 0.33
ALK Q9UM73 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL31150269 1.00 HRH3 (0.37) HRH3SYKRAF1BRAFPDE2A
SCHEMBL20836320 0.93 CA1 (0.33) HRH3ACACB
SCHEMBL31673370 0.93 CA1 (0.33) HRH3ACACB
SCHEMBL17669544 0.91 HRH3 (0.36) HRH3SYKRAF1BRAFPDE2A
SCHEMBL16583636 0.81 PDE10A (0.36) HRH3SYKRAF1BRAFPDE10A
SCHEMBL31150291 0.81 CYP2D6 (0.39) HRH3ACACB
SCHEMBL25793697 0.81 CYP2D6 (0.39) HRH3ACACB
SCHEMBL14230903 0.80 CA1 (0.47) HRH3APPACACB
SCHEMBL31150293 0.79 PDE2A (0.39) HRH3PDE2A
SCHEMBL25793699 0.79 PDE2A (0.39) HRH3PDE2A

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-2023131116-A1 CARBONYL BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2023-07-13 WO disclosed