SCHEMBL5315733

SCHEMBL5315733

CCCn1c(N2CCOCC2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.51
POLB P06746 2/20 0.48
HCAR3 P49019 3/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
PIK3CA P42336 1/20 0.43
MAPK1 P28482 1/20 0.43
KMO O15229 1/20 0.42

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
SCHEMBL5375164 0.88 KDM4E (0.54) PTGER4POLBALDH1A1NPSR1MAPT
SCHEMBL5317398 0.81 ITK (0.49) MAPT
SCHEMBL5320026 0.80 PTGER4 (0.47) PTGER4POLBHCAR3ALDH1A1NPSR1
SCHEMBL5318216 0.79 ITK (0.43) PTGER4POLBALDH1A1NPSR1MAPT
Water SCHEMBL5319087 0.79 PTGER4 (0.46) PTGER4POLBHCAR3ALDH1A1NPSR1
SCHEMBL5319931 0.79 HRH3 (0.49) PTGER4POLBALDH1A1NPSR1MAPT
SCHEMBL5318236 0.78 ITK (0.49)
SCHEMBL2687107 0.76 KMT2A (0.60) PTGER4HCAR3ALDH1A1KDM4EKMT2A
SCHEMBL5317414 0.75 HCAR3 (0.56) PTGER4HCAR3ALDH1A1MAPTGAA
SCHEMBL4258690 0.74 HDAC6 (0.53) POLBHCAR3GAAKDM4EMEN1

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