SCHEMBL24460445

SCHEMBL24460445

Cc1cccc2c1CN(C(=O)N1CCNCC1)CCS2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 9/20 0.54
HRH4 Q9H3N8 1/20 0.40
ALDH1A1 P00352 2/20 0.37
CA2 P00918 1/20 0.36
CHKA P35790 1/20 0.36
KCNH2 Q12809 1/20 0.36
MCL1 Q07820 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL24460447 0.85 RYR2 (0.51) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL29563522 0.85 RYR2 (0.51) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL29563568 0.85 RYR2 (0.51) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL24460459 0.85 RYR2 (0.51) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL29563477 0.85 RYR2 (0.51) RYR2HRH4CA2CHKAKCNH2
SCHEMBL24460437 0.85 RYR2 (0.51) RYR2HRH4CA2CHKAKCNH2
Hydrochloric Acid SCHEMBL29563975 0.84 RYR2 (0.50) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL24460348 0.82 RYR2 (0.48) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL29563519 0.82 RYR2 (0.48) RYR2CA2CHKAKCNH2SIGMAR1
SCHEMBL7557374 0.81 NOTUM (0.47) RYR2ALDH1A1MCL1NOTUMLMNA

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-2022108945-A1 AGENTS FOR TREATING DISORDERS INVOLVING RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2022-05-27 WO disclosed