SCHEMBL31065341

SCHEMBL31065341

OC(c1cc(Br)ccc1OCc1ccccc1)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.50
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 3/20 0.49
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
LRRK2 Q5S007 1/20 0.46
MAOB P27338 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
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
SCHEMBL31065358 0.87 CCR5 (0.53) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL80676 0.87 CCR5 (0.53) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL8166488 0.84 CCR5 (0.58) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL23599912 0.82 USP28 (0.54) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL7121592 0.82 LRRK2 (0.49) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL6491785 0.82 CCR5 (0.49) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL3915066 0.81 CCR5 (0.60) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL7116275 0.81 CCR5 (0.48) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL8161790 0.79 CCR5 (0.59) CCR5SLC6A4ALDH1A1USP28USP25
SCHEMBL17700565 0.78 CCR5 (0.58) CCR5SLC6A4ALDH1A1USP28USP25

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-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