SCHEMBL28118919

SCHEMBL28118919

NC(=O)CCCCCCCC(C(N)=O)(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.40
CHRM3 P20309 4/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL28118917 0.93 CHRM3 (0.42) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL10596455 0.85 CHRM3 (0.51) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL1769745 0.85 CHRM3 (0.51) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL4146916 0.85 CHRM3 (0.51) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL1915600 0.83 KMT2A (0.41) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL1915245 0.81 KMT2A (0.41) CHRM2CHRM3LMNACYP2D6CHRM1
SCHEMBL4021212 0.79 MAPK1 (0.39) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL4021731 0.79 MAPK1 (0.39) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL4019084 0.79 MAPK1 (0.39) LMNAKDM4EHDAC3HDAC4HDAC1
SCHEMBL28063826 0.78 CHRM2 (0.41) CHRM2CHRM3LMNACYP2D6CHRM1

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
CN-106414587-B Rubber composition, tire, amine compounds and age resister 大塚化学株式会社 2019-02-12 CN disclosed
CN-106414587-A Rubber composition, tire, amine compound and anti-aging agent 大塚化学株式会社 2017-02-15 CN disclosed