SCHEMBL27435374

SCHEMBL27435374

COc1c(Cl)cc2c(c1C(=O)O)OCCN2CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
DRD3 P35462 4/20 0.40
DRD2 P14416 5/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL30954054 1.00 KCNA3 (0.43) KCNA3DRD3DRD2CYSLTR2CYSLTR1
SCHEMBL27434671 0.92 TP53 (0.40) KCNA3KDM4EALDH1A1HSD17B10POLB
SCHEMBL27435364 0.92 KCNA3 (0.42) KCNA3DRD3DRD2CYSLTR2CYSLTR1
SCHEMBL30954057 0.92 TP53 (0.40) KCNA3KDM4EALDH1A1HSD17B10POLB
SCHEMBL27435528 0.91 KCNA3 (0.41) KCNA3DRD3DRD2KDM4EALDH1A1
SCHEMBL27433820 0.88 KDM4E (0.34) KCNA3DRD3DRD2KDM4EALDH1A1
SCHEMBL30954055 0.88 KDM4E (0.34) KCNA3DRD3DRD2KDM4EALDH1A1
SCHEMBL30954160 0.84 KDM4E (0.40) DRD3DRD2KDM4EALDH1A1HSD17B10
SCHEMBL27435335 0.84 KDM4E (0.40) DRD3DRD2KDM4EALDH1A1HSD17B10
SCHEMBL27434651 0.83 TP53 (0.41) KDM4EALDH1A1POLBGAATP53

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-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO claimed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed