SCHEMBL11019352

SCHEMBL11019352

COc1cc(OCc2ccccc2)ccc1-c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 6/20 0.47
▸ PDE2A O00408 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ PDGFRA P16234 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ SMO Q99835 1/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL10745905 0.88 AMY1A (0.53) AMY1APDE2APDGFRBPDGFRAMAPT
SCHEMBL11021153 0.88 PDE2A (0.46) AMY1APDE2APDGFRBPDGFRAMAPT
SCHEMBL11019408 0.88 AMY1A (0.46) AMY1APDE2APDGFRBPDGFRAMAPT
SCHEMBL10760424 0.86 PDE2A (0.44) AMY1APDE2APDGFRBPDGFRAMAPT
SCHEMBL10763231 0.84 NPBWR1 (0.43) PDE2APDGFRBPDGFRAMAPTKDM4E
SCHEMBL25885094 0.83 AMY1A (0.46) AMY1APDGFRBPDGFRAMAPTKDM4E
SCHEMBL7271892 0.83 PDE5A (0.51) PDE2APDGFRBPDGFRAMAPTKDM4E
Hydrochloric Acid SCHEMBL9636258 0.82 PDE5A (0.52) PDE2APDGFRBPDGFRAMAPTKDM4E
SCHEMBL11019179 0.82 AMY1A (0.47) AMY1APDE2APDGFRBPDGFRAPDE5A
SCHEMBL11018423 0.82 AMY1A (0.47) AMY1APDE2ANPSR1PDE5A

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
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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