SCHEMBL11173096

SCHEMBL11173096

CN(C)CCCn1cc(-c2ccc(Cl)cc2)c2ccc(Cl)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.47
▸ XDH P47989 3/20 0.47
▸ PRKCA P17252 3/20 0.42
▸ PRKCB P05771 2/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ STAT3 P40763 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ RXRA P19793 2/20 0.37

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
Cadaverine Tartrate SCHEMBL11175456 0.91 MPO (0.41) MPOXDHPRKCAPRKCBPRKCE
SCHEMBL11175117 0.82 ALDH1A1 (0.47) HTR6
SCHEMBL11172950 0.81 PRKD1 (0.48) HTR6GSK3B
SCHEMBL11190771 0.80 KDM4E (0.46) MPOXDHPRKCAPRKCBPRKCE
SCHEMBL11175882 0.78 BRD4 (0.58) MPOXDHPRKCAPRKCBPRKCE
Oxalic Acid SCHEMBL11175911 0.77 KDM4E (0.43) MPOXDHHTR6
SCHEMBL11190717 0.77 KDM4E (0.47) MPOXDH
SCHEMBL17818453 0.76 PRKCA (0.43) MPOXDHPRKCAPRKCBPRKCE
Maleic Acid SCHEMBL11173673 0.75 KMT2A (0.41) HTR6
SCHEMBL7993919 0.75 KDR (0.58) MPOXDHPRKCAPRKCBPRKCE

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
US-4393210-A ANALGESIC, ANTIULCER, ANTIDEPRESSANT, ANTIHISTAMINE, ANTICHOLINERGIC SEIYAKU CO., LTD. (JP) 1983-07-12 — — US disclosed
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