SCHEMBL4802610

SCHEMBL4802610

Ic1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(I)ccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.53
MAOB P27338 10/20 0.53
ACHE P22303 3/20 0.53
GRIN1 Q05586 8/20 0.50
GRIN2A Q12879 8/20 0.50
GRIN2B Q13224 8/20 0.50
FABP4 P15090 2/20 0.50
FABP5 Q01469 2/20 0.50
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
CNR2 P34972 1/20 0.48

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
SCHEMBL4804298 1.00 MAOA (0.53) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL27641643 0.92 CNR2 (0.59) CNR2
SCHEMBL14908435 0.92 CNR2 (0.59) CNR2
SCHEMBL16099549 0.90 FABP4 (0.45) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL1921229 0.89 RORA (0.56) CNR2
SCHEMBL1921258 0.85 HPGD (0.60) CNR2
SCHEMBL13957021 0.84 CYP1A2 (0.65) FABP4FABP5
SCHEMBL5181736 0.83 MAOA (0.69) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL6338101 0.83 MAOA (0.69) MAOAMAOBACHEGRIN1GRIN2A
SCHEMBL10063551 0.83 MAOA (0.69) MAOAMAOBACHEGRIN1GRIN2A

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
US-7329722-B2 Polymeric charge transport materials having carbazolyl repeating units SAMSUNG ELECTRONICS CO., LTD (KR) 2008-02-12 US disclosed
US-20060046172-A1 Polymeric charge transport materials having carbazolyl repeating units S-PRINTING SOLUTION CO., LTD. (KR) 2006-03-02 US disclosed