SCHEMBL19040669

SCHEMBL19040669

CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCN(CCN(CCCCCCCCCCCC)C(=O)CN2CCCCCCCCCCCCCCCCCCCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.48
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
BCHE P06276 5/20 0.41
KDM4E B2RXH2 1/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL25317725 0.85 KDM5A (0.46) SIGMAR1OPRM1OPRK1BCHEKDM4E
SCHEMBL19032646 0.84 CA12 (0.42) SIGMAR1OPRM1OPRK1BCHE
SCHEMBL29329335 0.84 CA12 (0.42) SIGMAR1OPRM1OPRK1BCHE
SCHEMBL19040830 0.82 SIGMAR1 (0.48) SIGMAR1BCHEKDM4ETHRATHRB
SCHEMBL30552770 0.80 SIGMAR1 (0.51) SIGMAR1BCHEKDM4EHRH3
SCHEMBL15505725 0.78 SIGMAR1 (0.57) SIGMAR1BCHEKDM4EALDH1A1
SCHEMBL2957913 0.78 SIGMAR1 (0.57) SIGMAR1BCHEKDM4EALDH1A1
SCHEMBL16269336 0.78 SIGMAR1 (0.57) SIGMAR1BCHEKDM4EALDH1A1
SCHEMBL24856252 0.77 SIGMAR1 (0.46) SIGMAR1BCHEHRH3
SCHEMBL22642134 0.77 SIGMAR1 (0.49) SIGMAR1BCHEKDM4EALDH1A1HRH3

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-2017112865-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX, INC. (US) 2017-06-29 WO disclosed