SCHEMBL7877424

SCHEMBL7877424

COc1cc2c(cc1OC)SCCN(C(=O)CCN1CCC(Cc3cccc(O)c3O)CC1)C2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
RYR2 Q92736 13/20 0.58
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL7878998 0.90 KCNH2 (0.74) KCNH2RYR2
SCHEMBL7882125 0.86 KCNH2 (0.56) KCNH2RYR2
SCHEMBL16381677 0.85 KCNH2 (0.56) KCNH2RYR2
SCHEMBL2600723 0.85 KCNH2 (0.79) KCNH2RYR2ALDH1A1
SCHEMBL13150270 0.78 RYR2 (0.76) KCNH2RYR2
SCHEMBL16381675 0.76 KCNH2 (0.61) KCNH2RYR2
SCHEMBL16381674 0.76 KCNH2 (0.70) KCNH2RYR2
SCHEMBL192924 0.75 KCNH2 (0.98) KCNH2RYR2
SCHEMBL13145783 0.75 RYR2 (0.86) KCNH2RYR2
Hydrochloric Acid SCHEMBL194018 0.75 KCNH2 (1.00) KCNH2RYR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010120382-A1 COMPOUNDS AND METHODS FOR MODULATING ACTIVITY OF CALCIUM RELEASE CHANNELS STATE OF OREGON BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF PORTLAND STATE UNIVERSITY (US) 2010-10-21 WO disclosed