SCHEMBL5510083

SCHEMBL5510083

[CH2]/C=C/Cc1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYP1A2 P05177 2/20 0.42
PDE10A Q9Y233 3/20 0.40
NCF1 P14598 1/20 0.39
NOS2 P35228 1/20 0.39
BACE1 P56817 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL1115865 0.81 CYP1A2 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL456812 0.81 CYP1A2 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL8754671 0.81 CYSLTR1 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL8754663 0.81 CYSLTR1 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL5093242 0.81 CYP1A2 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL6535913 0.81 CYSLTR1 (0.46) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL322184 0.81 CYSLTR1 (0.49) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL1163878 0.81 CYSLTR1 (0.49) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL6525088 0.80 CYSLTR1 (0.52) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL17500352 0.80 CYSLTR1 (0.49) CYSLTR1CYSLTR2CYP1A2PDE10AGPBAR1

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-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US claimed
US-6593302-B2 Antibiotics KOSAN BIOSCIENCES, INC. 2003-07-15 US claimed