SCHEMBL31065345

SCHEMBL31065345

CC(C)Oc1cc(Br)cnc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
SCN10A Q9Y5Y9 4/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
SCN9A Q15858 3/20 0.34
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
P2RX3 P56373 1/20 0.34
FPR2 P25090 1/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL31065344 1.00 NPBWR1 (0.35) NPBWR1MCHR1SCN10AICAM1SELE
SCHEMBL31065349 0.85 EGFR (0.38) MCHR1SCN10AICAM1SELEVCAM1
SCHEMBL31065386 0.80 SCN5A (0.39) NPBWR1MCHR1SCN10ASCN9AKCNH2
SCHEMBL31065370 0.77 SCN5A (0.35) SCN10ASCN9AKCNH2SCN5ASCN1A
SCHEMBL5878919 0.73 SLC6A4 (0.52) SCN10ASCN9AKCNH2SCN5ASCN1A
SCHEMBL5878557 0.73 DHODH (0.43) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL189548 0.73 PIK3CA (0.38) P2RX3HRH4METKMT2A
SCHEMBL5878875 0.72 SLC6A2 (0.46) SLC6A4SLC6A2NPC1RAB9AL3MBTL1
SCHEMBL189145 0.70 GRM5 (0.38) SLC6A2NPC1ALDH1A1SMN1; SMN2HRH4
SCHEMBL8160442 0.70 GRM7 (0.40) SCN10ASLC6A4SLC6A2SLC6A3ALDH1A1

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