SCHEMBL4081455

SCHEMBL4081455

COc1c(C)ccc(OC(N)C(C)O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.36
CYP2D6 P10635 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
AOC3 Q16853 1/20 0.31
SCN4A P35499 3/20 0.31
LMNA P02545 2/20 0.31
SCN1A P35498 2/20 0.31
SCN9A Q15858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
KCNK3 O14649 1/20 0.31
CACNA1F O60840 1/20 0.31

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
SCHEMBL4072447 0.79 MRGPRX4 (0.35) SCN5A
SCHEMBL70690 0.72 ACHE (0.42) MEN1KMT2ALMNATSHR
SCHEMBL4079547 0.72 SCN5A (0.37) SCN5ACYP2D6KMT2ASCN4ALMNA
SCHEMBL4081365 0.71 TSHR (0.38) MEN1KMT2ACYP3A4TSHRHTR2A
SCHEMBL4072010 0.71 TSHR (0.38) MEN1KMT2ACYP3A4TSHRHTR2A
SCHEMBL6256715 0.70 KMT2A (0.53) ADRA2AKMT2AMAPK1LMNACYP1A2
SCHEMBL4071169 0.70 ALOX15 (0.44) CYP2D6MEN1KMT2AMAPK1BLM
SCHEMBL768033 0.69 TSHR (0.55) SCN5AMEN1KMT2ASCN4ALMNA
SCHEMBL768032 0.69 TSHR (0.55) SCN5AMEN1KMT2ASCN4ALMNA
SCHEMBL27398663 0.67 CSNK2A1 (0.34) SCN5ACYP2D6SCN4ALMNASCN1A

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
EP-2066673-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS ChemBridge Research Laboratories, Inc. (US) 2009-06-10 EP disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed