SCHEMBL5317600

SCHEMBL5317600

CCCc1nc2cc(C(=O)N(C)C3CCN(C)CC3)ccc2n1-c1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 5/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MRGPRX2 Q96LB1 3/20 0.41
CNR2 P34972 1/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
ITK Q08881 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
KCNH2 Q12809 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
SCHEMBL5316718 0.81 LMNA (0.49) LMNAL3MBTL1HRH3NPC1RAB9A
SCHEMBL5316682 0.81 HSD17B10 (0.44) LMNAHTR2AHTR2CSLC6A4
SCHEMBL5319144 0.78 LMNA (0.60) LMNAL3MBTL1HRH3MRGPRX2ITK
SCHEMBL5321947 0.77 HRH3 (0.50) LMNAL3MBTL1HRH3MRGPRX2CNR2
SCHEMBL5315402 0.71 CNR2 (0.48) MRGPRX2CNR2ITK
SCHEMBL5317398 0.71 ITK (0.49) NPC1RAB9AMRGPRX2CNR2ITK
SCHEMBL5320022 0.69 ADORA2A (0.49) HRH3MRGPRX2CNR2ITK
SCHEMBL562811 0.67 POLB (0.52) LMNAHRH3NPC1RAB9ACNR2
SCHEMBL5320783 0.66 ITK (0.47) MRGPRX2ITK
SCHEMBL5317461 0.66 HDAC6 (0.62) LMNAMRGPRX2ITK

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