SCHEMBL21139770

SCHEMBL21139770

Cc1ccc(OC2CCN(Cc3ccc(OC4CCNCC4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH1 P35367 1/20 0.52
CXCR4 P61073 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ADRB2 P07550 2/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL5207756 0.85 HRH3 (0.65) HRH3HRH1CXCR4MEN1KMT2A
SCHEMBL13450155 0.85 SMN1; SMN2 (0.71) HRH3GAASMN1; SMN2MAOAMAOB
SCHEMBL5202557 0.82 HRH3 (0.67) HRH3SMN1; SMN2HRH1
SCHEMBL15830271 0.82 GAA (0.54) HRH3GAASMN1; SMN2MEN1KMT2A
SCHEMBL2365784 0.82 HRH1 (0.66) HRH3HRH1MEN1KMT2A
Hydrochloric Acid SCHEMBL31587835 0.82 GAA (0.54) HRH3GAASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL31587801 0.81 HRH1 (0.63) HRH3HRH1MEN1KMT2A
SCHEMBL1004964 0.80 HRH3 (0.49) HRH3SMN1; SMN2HRH1MEN1KMT2A
Hydrochloric Acid SCHEMBL23410284 0.79 HRH1 (0.61) HRH3HRH1MEN1KMT2A
SCHEMBL30775254 0.77 HRH3 (0.62) HRH3HRH1

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-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed