SCHEMBL17081983

SCHEMBL17081983

O=C1N(c2cccc3ncccc23)CC[C@@]12CCCN(c1ncccc1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
P2RX7 Q99572 4/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL550119 1.00 CCNC (0.41) CCNCCDK8P2RX7OPRM1OPRL1
SCHEMBL549518 0.91 CCNC (0.39) CCNCCDK8P2RX7OPRM1OPRL1
SCHEMBL17082058 0.91 CCNC (0.39) CCNCCDK8P2RX7OPRM1OPRL1
SCHEMBL17082044 0.90 P2RX7 (0.41) CCNCCDK8P2RX7OPRM1OPRL1
SCHEMBL550776 0.90 P2RX7 (0.41) CCNCCDK8P2RX7OPRM1OPRL1
SCHEMBL549835 0.88 HSD11B1 (0.45) MALT1EGLN1HSD11B1
SCHEMBL17082064 0.88 HSD11B1 (0.45) MALT1EGLN1HSD11B1
SCHEMBL4570053 0.81 MALT1 (0.52) OPRL1MALT1EGLN1HSD11B1
SCHEMBL550273 0.79 HSD11B1 (0.44) MALT1EGLN1HTR1AHTR7ALDH1A1
SCHEMBL17082059 0.79 HSD11B1 (0.44) MALT1EGLN1HTR1AHTR7ALDH1A1

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed