SCHEMBL27997337

SCHEMBL27997337

COc1cccc(C2CCOC2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.58
DRD2 P14416 2/20 0.50
TACR1 P25103 1/20 0.46
ADRA1A P35348 3/20 0.45
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
CYP19A1 P11511 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GID4 Q8IVV7 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL3316532 0.90 HTR2C (0.66) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL29042969 0.86 HTR2C (0.60) HTR2CDRD2TACR1ADRA1AHTR2A
SCHEMBL29866158 0.81 DRD2 (0.52) HTR2CDRD2
SCHEMBL30997824 0.81 HTR2C (0.77) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL1515134 0.81 HTR2C (0.77) HTR2CDRD2ADRA1AHTR2AHTR2B
SCHEMBL14894409 0.80 DYRK1A (0.45) HTR2C
SCHEMBL31618407 0.80 DRD2 (0.51) HTR2CDRD2
SCHEMBL14893752 0.80 DRD2 (0.45) DRD2ADRA1A
SCHEMBL27759433 0.78 DRD2 (0.44) DRD2ADRA1A
SCHEMBL20117303 0.78 HTR2C (0.54) HTR2CDRD2HTR2AHTR2BCYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274828-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2023-11-15 EP disclosed
WO-2022150174-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2022-07-14 WO disclosed
CN-104292190-A Synthesis method for beta-brominated tetrahydrofuran compound HARBIN INST OF TECHNOLOGY 2015-01-21 CN disclosed