SCHEMBL31065348

SCHEMBL31065348

FC(F)C(F)(F)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.49
SLC6A4 P31645 2/20 0.49
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.48
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
PTGER1 P34995 1/20 0.45
LRRK2 Q5S007 3/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MAOB P27338 1/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30955958 0.85 PTGER1 (0.54) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL3726426 0.85 PTGER1 (0.54) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL5367447 0.80 PTGDR2 (0.60) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL80676 0.77 CCR5 (0.53) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL31065358 0.77 CCR5 (0.53) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL3550476 0.75 SLC6A4 (0.56) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL31751182 0.75 SLC6A4 (0.56) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL20456269 0.75 SLC6A4 (0.56) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL368071 0.75 SLC6A4 (0.66) CCR5SLC6A4ALDH1A1RAB9AUSP28
SCHEMBL31644088 0.75 SLC6A4 (0.66) CCR5SLC6A4ALDH1A1RAB9AUSP28

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
WO-2025262243-A1 THIENO- AND THIAZOLOPYRIMIDINE-2,6-DIONES AND USE THEREOF AS IMMUNOMODULATORS INVIOS GMBH (AT) 2025-12-26 WO disclosed
EP-4602044-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF invIOs GmbH (AT) 2025-08-20 EP disclosed
WO-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed