SCHEMBL2956331

SCHEMBL2956331

CCc1ccccc1CC1CN(C)c2ccc(Cl)cc2C(c2ccc(O)cc2)=N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.44
LMNA P02545 2/20 0.44
PDE3A Q14432 1/20 0.44
PDE4D Q08499 3/20 0.43
NR1I2 O75469 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
PTGS2 P35354 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
CACNA1F O60840 1/20 0.39
ALB P02768 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL2265578 0.91 OPRK1 (0.43) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2265946 0.90 TP53 (0.44) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL3225705 0.88 OPRK1 (0.41) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2266190 0.87 OPRK1 (0.40) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2957566 0.86 OPRK1 (0.39) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2962352 0.85 OPRK1 (0.40) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2266008 0.84 OPRK1 (0.42) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2267890 0.83 TP53 (0.44) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL3232231 0.83 OPRK1 (0.37) OPRK1LMNAPDE3APDE4DNR1I2
SCHEMBL2263552 0.82 OPRK1 (0.39) OPRK1LMNAPDE3APDE4DNR1I2

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