SCHEMBL13574574

SCHEMBL13574574

OC[C@H](O)COc1cccc(CN2CCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.65
▸ WDR77 Q9BQA1 1/20 0.65
▸ ACE2 Q9BYF1 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ TSHR P16473 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ ROCK2 O75116 2/20 0.52
▸ ABCB1 P08183 6/20 0.52
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL13574575 1.00 PRMT5 (0.65) PRMT5WDR77ACE2SMN1; SMN2TSHR
SCHEMBL9866734 0.88 PRMT5 (0.64) PRMT5WDR77ACE2SMN1; SMN2TSHR
SCHEMBL10811863 0.86 PRMT5 (0.62) PRMT5WDR77ACE2SMN1; SMN2TSHR
SCHEMBL6140348 0.85 PRMT5 (0.60) PRMT5WDR77ACE2SMN1; SMN2
SCHEMBL15962433 0.82 L3MBTL1 (0.75) PRMT5WDR77ACE2SMN1; SMN2TSHR
SCHEMBL13293747 0.81 HRH3 (0.59) SMN1; SMN2KDM4E
SCHEMBL10868032 0.81 PRMT5 (0.56) PRMT5WDR77ACE2SMN1; SMN2TSHR
SCHEMBL10806940 0.81 PRMT5 (0.64) PRMT5WDR77ACE2SMN1; SMN2TSHR
SCHEMBL10504734 0.80 PRMT5 (0.55) PRMT5WDR77ACE2SMN1; SMN2KDM4E
SCHEMBL10669444 0.80 PRMT5 (0.55) PRMT5WDR77ACE2SMN1; SMN2

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-2009158587-A1 METHOD FOR TREATING PULMONARY DISEASES USING RHO KINASE INHIBITOR COMPOUNDS INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-30 — — WO disclosed
WO-2009155209-A1 OPHTHALMIC FORMULATION OF RHO KINASE INHIBITOR COMPOUND INSPIRE PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
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