SCHEMBL6175358

SCHEMBL6175358

Cc1c(CC2CCCCC2)cccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.48
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
PPM1D O15297 1/20 0.43
TP53 P04637 1/20 0.42
PARP1 P09874 4/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PARP10 Q53GL7 3/20 0.40
PARP15 Q460N3 2/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
ESR2 Q92731 1/20 0.39
F2RL1 P55085 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4707109 0.84 TP53 (0.49) CD38PPM1DTP53SIRT2PARP10
SCHEMBL30100415 0.84 CD38 (0.44) CD38PPM1DTP53PARP1SIRT2
SCHEMBL9996739 0.83 TP53 (0.47) CD38PPM1DTP53SIRT2PARP10
SCHEMBL17748782 0.81 CEL (0.42) PPM1D
SCHEMBL29818185 0.80 TP53 (0.43) CD38PPM1DTP53SIRT2PARP10
SCHEMBL30281012 0.78 PTGER4 (0.44) PPM1DPOLB
SCHEMBL2303340 0.76 KDM4E (0.44) TP53POLBF2RL1
SCHEMBL1334610 0.76 PARP1 (0.47) CD38PARP1OPRK1
SCHEMBL28871905 0.75 MEN1 (0.39) CD38TP53PARP1POLBRPS6KB1
SCHEMBL28014691 0.75 MEN1 (0.39) CD38TP53PARP1RPS6KB1OPRK1

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-1590319-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Novartis AG (CH) 2005-11-02 EP disclosed
WO-2004065351-A1 AMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 NOVARTIS AG (CH) 2004-08-05 WO disclosed