SCHEMBL5319931

SCHEMBL5319931

CCCn1c(N2CCOCC2)nc2cc(C(=O)N3CCC(N(C)CC)C3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
KMT2A Q03164 2/20 0.40
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGER4 P35408 1/20 0.39
POLB P06746 2/20 0.39
VNN1 O95497 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PIK3CA P42336 3/20 0.38
MTOR P42345 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3C2B O00750 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
CNR2 P34972 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
SCHEMBL5315353 0.81 HRH3 (0.42) HRH3ALDH1A1NPSR1PTGER4
SCHEMBL5317398 0.81 ITK (0.49) MAPTCNR2
SCHEMBL5318216 0.79 ITK (0.43) KMT2ACNR1ALDH1A1NPSR1PTGER4
SCHEMBL5315733 0.79 PTGER4 (0.51) KMT2AALDH1A1NPSR1PTGER4POLB
SCHEMBL5318236 0.77 ITK (0.49) HRH3CNR2
SCHEMBL5375164 0.76 KDM4E (0.54) KMT2AALDH1A1NPSR1PTGER4POLB
SCHEMBL5320779 0.74 HRH3 (0.47) HRH3PTGER4CNR2
SCHEMBL5318430 0.68 ITK (0.49) HRH3CNR2
SCHEMBL5320026 0.67 PTGER4 (0.47) ALDH1A1NPSR1PTGER4POLB
SCHEMBL5319079 0.67 ITK (0.49) HRH3CNR2

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