SCHEMBL9612014

SCHEMBL9612014

CC(C)c1cccc(C(C)C)c1N1C(=O)C(=O)N(c2c(C(C)C)cccc2C(C)C)C1=S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.63
NR1H2 P55055 1/20 0.63
NR1H3 Q13133 1/20 0.63
ANPEP P15144 5/20 0.58
FAAH O00519 2/20 0.42
MGLL Q99685 1/20 0.42
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 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
SCHEMBL6927281 0.78 DPP4 (1.00) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL2820118 0.77 DPP4 (0.78) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL29366407 0.77 DPP4 (0.78) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL8475812 0.76 DPP4 (0.50) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL2032898 0.76 MGLL (0.63) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL30954668 0.76 ANPEP (0.67) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL29286159 0.76 ANPEP (0.58) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL17531021 0.76 ANPEP (0.67) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL9013878 0.75 DPP4 (0.49) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL8857930 0.74 DPP4 (0.51) DPP4NR1H2NR1H3ANPEPFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643416-B1 THE USE OF ARYL OR HETEROARYL SUBSTITUTED DITHIOLENE METAL COMPLEXES AS IR ABSORBERS BASF SE (DE) 2019-08-07 EP disclosed
US-20130234427-A1 THE USE OF ARYL OR HETEROARYL SUBSTITUTED DITHIOLENE METAL COMPLEXES AS IR ABSORBERS BASF SE (DE) 2013-09-12 US disclosed
US-20130234427-A1 THE USE OF ARYL OR HETEROARYL SUBSTITUTED DITHIOLENE METAL COMPLEXES AS IR ABSORBERS BASF SE (DE) 2013-09-12 US disclosed
WO-2012069518-A1 THE USE OF ARYL OR HETEROARYL SUBSTITUTED DITHIOLENE METAL COMPLEXES AS IR ABSORBERS BASF SE (DE) 2012-05-31 WO disclosed