SCHEMBL18018673

SCHEMBL18018673

C#CCCCCOc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(OCCCCC#C)c(CCCN)c(OCCCCC#C)c3)C[C@@H](NC(=O)c3cc(OCCCCC#C)c(CCCN)c(OCCCCC#C)c3)C2)cc(OCCCC#C)c1CCCN

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.34
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ST14 Q9Y5Y6 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
F2 P00734 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
GRM5 P41594 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16447138 0.99 CYSLTR2 (0.34) CYSLTR2CNR2TSHRPRSS1PRSS2
SCHEMBL20097655 0.99 CYSLTR2 (0.34) CYSLTR2CNR2TSHRPRSS1PRSS2
SCHEMBL22591237 0.92 CNR2 (0.32) CYSLTR2CNR2
SCHEMBL21448017 0.84
SCHEMBL17996918 0.83 TTR (0.39) MAOBALDH1A1
SCHEMBL18020313 0.82 CA12 (0.36) CNR2
SCHEMBL16446802 0.81 TTR (0.40) MAOBALDH1A1
SCHEMBL16450733 0.81 CA12 (0.37) CNR2
SCHEMBL20098894 0.81 CA12 (0.37) CNR2
SCHEMBL22536864 0.81 TTR (0.41) TSHRMAOAMAOBKDM4E

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
US-20160237279-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-18 US disclosed
US-20160237279-A1 MULTIMERIC PROTECTED FLUORESCENT REAGENTS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-08-18 US disclosed