SCHEMBL21885830

SCHEMBL21885830

CC(C)NS(=O)(=O)CC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
ITGB3 P05106 11/20 0.33
ITGA2B P08514 11/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
CPB2 Q96IY4 2/20 0.32
CPN1 P15169 1/20 0.32

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
SCHEMBL8091841 0.86 ACACB (0.42) ACACB
SCHEMBL24368018 0.86 ACACB (0.34) ACACBITGB3ITGA2BANPEPERAP2
SCHEMBL16000112 0.84 ACACB (0.38) ACACBSIGMAR1ITGB3ITGAV
SCHEMBL23868226 0.84 ACACB (0.38) ACACB
SCHEMBL16000131 0.82 ACACB (0.38) ACACBSIGMAR1ITGB3ITGAV
SCHEMBL23868150 0.78 ACACB (0.35) ACACB
SCHEMBL25541391 0.72 LMNA (0.33) ITGB3ITGA2BANPEPERAP2ALOX15
SCHEMBL26694 0.71 GABRA5 (0.39) ANPEPERAP2ALOX15LMNACYP3A4
SCHEMBL8486385 0.71 LMNA (0.45) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL1902054 0.70 GABRA5 (0.38) ALOX15LMNACYP3A4GABRA1TSHR

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-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed