SCHEMBL9357458

SCHEMBL9357458

CCC(=O)c1ccc(OCCN(CC)CC)cc1C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.61
▸ THRA P10827 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ EBP Q15125 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ MAPT P10636 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CHRNA7 P36544 1/20 0.52
▸ POLB P06746 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMARCA2 P51531 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL30969307 0.86 MAOB (0.61) MAOBTHRATHRBEBPSIGMAR1
SCHEMBL20819228 0.82 THRA (0.53) MAOBTHRATHRBHTT
SCHEMBL11526930 0.81 MAOB (0.50) MAOBTHRATHRBEBPSIGMAR1
SCHEMBL10885211 0.81 EBP (0.71) MAOBTHRATHRBEBPSIGMAR1
SCHEMBL14605715 0.81 KDM4E (0.53) THRATHRBMAPTKMT2AHTT
Hydrochloric Acid SCHEMBL11529376 0.80 MAOB (0.49) MAOBTHRATHRBEBPSIGMAR1
SCHEMBL10358108 0.79 MAPT (0.59) MAOBEBPSIGMAR1MAPTKMT2A
SCHEMBL11526998 0.76 MAOB (0.50) MAOBEBPSIGMAR1MAPTKMT2A
SCHEMBL5410738 0.76 MAOB (0.63) MAOBEBPSIGMAR1MAPTKMT2A
SCHEMBL2089774 0.76 HTT (0.69) THRATHRBMAPTKMT2AHTT

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
EP-0352639-B1 p-Hydroxyphenone derivatives and their use BASF AG (DE) 1994-10-19 — — EP disclosed
US-5118682-A Antiarrhythmia agents; potassium channel inhibitors BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 — — US disclosed
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