SCHEMBL28789751

SCHEMBL28789751

CCCCc1cc(N)n(Cc2ccc(F)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.51
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
NCOR2 Q9Y618 3/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
DHFR P00374 2/20 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
SCHEMBL27682759 0.78 NPC1 (0.49) POLBSMN1; SMN2MEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL27702328 0.77 NPC1 (0.48) POLBSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL28792136 0.76 NOS2 (0.44) TLR7
SCHEMBL27821973 0.75 NOS2 (0.43) TLR7
SCHEMBL283629 0.74 ALDH1A1 (0.62) SLC2A1POLBSMN1; SMN2MEN1MAPT
SCHEMBL27836956 0.71 NOS2 (0.40) SMN1; SMN2ALDH1A1LMNATLR7
SCHEMBL7272832 0.70 NOS2 (0.44) TLR7
SCHEMBL27742972 0.70 NPC1 (0.51) POLBSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL27821985 0.70 TLR7 (0.36) TLR7
SCHEMBL28563833 0.69 MAPK1 (0.50) SLC2A1POLBSMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216277-A Substituted benzamides as cannabinoid receptor ligands ABBOTT LAB 2011-10-12 CN disclosed