SCHEMBL23535262

SCHEMBL23535262

CCCCOC(=O)N1CC[C@H](NCc2ccccc2)C(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
GRIN2B Q13224 3/20 0.40
CCR8 P51685 1/20 0.40
MMP13 P45452 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CHRM4 P08173 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL25390723 0.82 STS (0.53) SMN1; SMN2KDM4ELMNA
SCHEMBL519045 0.82 STS (0.53) SMN1; SMN2KDM4ELMNA
SCHEMBL30174973 0.82 KMT2A (0.57) MEN1KMT2ACCR8SMN1; SMN2NPC1
SCHEMBL3332951 0.81 NPSR1 (0.44) MEN1KMT2ASMN1; SMN2HTR2A
SCHEMBL23051556 0.77 STS (0.48) SMN1; SMN2KDM4ELMNA
SCHEMBL30135937 0.75 GRIN2B (0.41) MEN1KMT2AOPRD1OPRK1GRIN2B
SCHEMBL18704541 0.74 MEN1 (0.46) MEN1KMT2AOPRD1OPRK1GRIN2B
SCHEMBL30075821 0.74 SMN1; SMN2 (0.48) MEN1KMT2AGRIN2BMMP13MMP2
SCHEMBL31469967 0.74 NPSR1 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13191196 0.73 MAPT (0.52) MEN1KMT2AGRIN2BSMN1; SMN2NPC1

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-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 EP disclosed
WO-2021126728-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed