SCHEMBL27433242

SCHEMBL27433242

COc1cc2c(cc1F)N(C)CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PDE10A Q9Y233 1/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30954097 1.00 POLB (0.47) POLBRXFP1PDE10AKMT2AALDH1A1
SCHEMBL30954136 0.83 RXFP1 (0.56) POLBRXFP1PDE10AKMT2APKM
SCHEMBL27434483 0.83 RXFP1 (0.56) POLBRXFP1PDE10AKMT2APKM
SCHEMBL27432476 0.81 RXFP1 (0.46) POLBRXFP1PDE10AKMT2ANPC1
SCHEMBL13382355 0.79 DRD2 (0.47) POLBALDH1A1NPC1PKMPKLR
SCHEMBL1494287 0.79 RXFP1 (0.45) POLBRXFP1PDE10AKMT2AALDH1A1
SCHEMBL31017016 0.78 RXFP1 (0.46) POLBRXFP1PDE10AKMT2AHTT
SCHEMBL21605968 0.78 ALDH1A1 (0.44) POLBKMT2AALDH1A1HTTRECQL
SCHEMBL27432573 0.78 PKM (0.46) POLBALDH1A1HTTRECQLNPC1
SCHEMBL27435059 0.77 AR (0.47) POLBARDRD2DRD4DRD3

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
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