SCHEMBL22804565

SCHEMBL22804565

C[C@H](F)CN1CCC(c2ccc(Br)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.55
PRCP P42785 1/20 0.44
DRD2 P14416 3/20 0.43
CCR5 P51681 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL24494955 1.00 SLC18A3 (0.55) SLC18A3PRCPDRD2CCR5TLR9
SCHEMBL29964208 0.87 SLC18A3 (0.57) SLC18A3PRCPDRD2TLR9TLR8
SCHEMBL6247690 0.87 SLC18A3 (0.57) SLC18A3PRCPDRD2TLR9TLR8
SCHEMBL24494987 0.86 SLC18A3 (0.50) SLC18A3DRD2TLR9TLR8TLR7
SCHEMBL22805198 0.84 SLC18A3 (0.62) SLC18A3PRCPDRD2TLR9TLR8
SCHEMBL22805197 0.84 SLC18A3 (0.62) SLC18A3PRCPDRD2TLR9TLR8
SCHEMBL22804562 0.81 SLC18A3 (0.49) SLC18A3DRD2
SCHEMBL22804564 0.81 SLC18A3 (0.49) SLC18A3DRD2
SCHEMBL24681331 0.79 SLC18A3 (0.49) SLC18A3PRCPDRD2TLR9TLR8
SCHEMBL6249416 0.78 DRD2 (0.53) SLC18A3PRCPDRD2

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