SCHEMBL24313232

SCHEMBL24313232

Clc1cc(OC2COC2)ccc1C1COCCCN1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 2/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL21491118 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PRKAB2PRKAG1
SCHEMBL31472352 0.78 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PRKAB2PRKAG1
SCHEMBL21491362 0.78 CDC7 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL31472302 0.78 CDC7 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL21491275 0.78 ESR1 (0.38)
SCHEMBL31472367 0.78 ESR1 (0.38)
SCHEMBL21491389 0.77 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21491329 0.77 HRH3 (0.34) MEN1KMT2AHRH3PDE2APDE10A
SCHEMBL21491328 0.77 HRH3 (0.34) MEN1KMT2AHRH3PDE2APDE10A
SCHEMBL21491386 0.77 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed