SCHEMBL5316718

SCHEMBL5316718

CCCc1nc2cc(C(=O)N(C)C3CCN(C)CC3)ccc2n1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 3/20 0.46
MRGPRX2 Q96LB1 3/20 0.43
ITK Q08881 6/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
CNR2 P34972 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CCR5 P51681 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CCR3 P51677 1/20 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
SCHEMBL5317600 0.81 LMNA (0.47) LMNAL3MBTL1HRH3MRGPRX2ITK
SCHEMBL5319144 0.81 LMNA (0.60) LMNAL3MBTL1HRH3MRGPRX2ITK
SCHEMBL5321947 0.74 HRH3 (0.50) LMNAL3MBTL1HRH3MRGPRX2ITK
SCHEMBL5315402 0.73 CNR2 (0.48) MRGPRX2ITKADORA2AADORA1CNR2
SCHEMBL5317461 0.71 HDAC6 (0.62) LMNAMRGPRX2ITKADORA2AADORA1
SCHEMBL5320022 0.71 ADORA2A (0.49) HRH3MRGPRX2ITKADORA2AADORA1
SCHEMBL5316556 0.71 HDAC6 (0.63) LMNAL3MBTL1HRH3MRGPRX2ITK
SCHEMBL5317398 0.70 ITK (0.49) MRGPRX2ITKCNR2NPC1RAB9A
SCHEMBL10817171 0.69 MAPT (0.51) LMNACNR2RAB9A
SCHEMBL5320783 0.69 ITK (0.47) MRGPRX2ITK

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO claimed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed