SCHEMBL5892102

SCHEMBL5892102

CC(C)(C)c1cc(CN2C(=O)C3=C(c4ccc(N(c5ccccc5)c5ccccc5)cc4)N(Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)C(=O)C3=C2c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
RXRA P19793 4/20 0.34
RXRB P28702 4/20 0.34
RXRG P48443 4/20 0.34
FAAH O00519 2/20 0.33
MGLL Q99685 2/20 0.33
LRRK2 Q5S007 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
RGS4 P49798 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2456324 0.89 FAAH (0.41) NPSR1GAAHTTGPR55RXRA
SCHEMBL15094146 0.89 NR1H2 (0.40) NPSR1GAAHTTGPR55RXRA
SCHEMBL6095174 0.79 GAA (0.44) NPSR1GAAHTTGPR55FAAH
SCHEMBL14031439 0.79 MAPT (0.49) NPSR1MGLLNR1H2NR1H3RGS4
SCHEMBL18327868 0.78 NR1H2 (0.44) GAAHTTFAAHMGLLNR1H2
SCHEMBL15093852 0.76 CES2 (0.43) NPSR1NR1H2NR1H3
SCHEMBL14031339 0.76 NR1H2 (0.54) GAANR1H2NR1H3MEN1ALDH1A1
SCHEMBL10050134 0.75 NR1H2 (0.46) HTTFAAHMGLLNR1H2NR1H3
SCHEMBL14049757 0.74 MAPT (0.45) NPSR1NR1H2NR1H3RGS4MEN1
SCHEMBL2457394 0.74 CMA1 (0.46) GAANR1H2NR1H3MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060843-B1 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-13 US disclosed
US-7001677-B2 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-02-21 US disclosed
US-20040009368-A1 Electroluminescent devices comprising diketopyrrolopyrroles OTANI JUNJI (JP) 2004-01-15 US disclosed
EP-1087006-B1 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SC HOLDING AG (CH) 2003-10-15 EP disclosed
EP-1329493-A2 Electroluminescent devices comprising diketopyrrolopyrroles Ciba SC Holding AG (CH) 2003-07-23 EP disclosed
EP-1087006-A1 Electroluminescent devices comprising diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP disclosed