SCHEMBL22804324

SCHEMBL22804324

OCCC1CCN(CCc2ccc(Br)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.49
HRH3 Q9Y5N1 2/20 0.47
ACHE P22303 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL24494922 0.88 CCR3 (0.51) CCR3HRH3
SCHEMBL5872011 0.85 HTR2A (0.58) KCNH2
SCHEMBL22804380 0.84 ACHE (0.55) CCR3HRH3ACHE
SCHEMBL22804418 0.84 GBA1 (0.42)
SCHEMBL24495209 0.81 SPHK1 (0.63) CCR3HRH3ACHEKCNH2
SCHEMBL2730391 0.78 SIGMAR1 (0.57) HRH3KCNH2
SCHEMBL22804323 0.78 HTR2A (0.53) HRH3ACHEKCNH2
SCHEMBL7491395 0.78 SPHK1 (0.63) CCR3HRH3ACHE
SCHEMBL7321506 0.76 SIGMAR1 (0.64) CCR3HRH3
SCHEMBL15566801 0.76 HTR2A (0.57) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3986896-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
WO-2020254572-A1 EGFR INHIBITORS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 WO disclosed