SCHEMBL2962352

SCHEMBL2962352

CCc1cccc(CC2CN(C)c3ccc(Cl)cc3C(c3ccc(O)cc3)=N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.40
PDE4D Q08499 3/20 0.40
NR1I2 O75469 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
PTGS2 P35354 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 2/20 0.39
PDE3A Q14432 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
GAA P10253 1/20 0.35
TSPO P30536 1/20 0.35
TP53 P04637 2/20 0.35
HTR2B P41595 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
SCHEMBL2266008 0.93 OPRK1 (0.42) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2957566 0.91 OPRK1 (0.39) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2267890 0.90 TP53 (0.44) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2268118 0.90 OPRK1 (0.39) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2264625 0.88 OPRK1 (0.38) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2956331 0.85 OPRK1 (0.44) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2263552 0.85 OPRK1 (0.39) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2266795 0.84 OPRK1 (0.39) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2264547 0.83 OPRK1 (0.38) OPRK1PDE4DNR1I2ADORA3HTR2C
SCHEMBL2265578 0.82 OPRK1 (0.43) OPRK1PDE4DNR1I2ADORA3HTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139331-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF The Regents of the University of Michigan (US) 2010-01-06 EP claimed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO claimed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US disclosed