SCHEMBL9428867

SCHEMBL9428867

CC(C)n1c(NCCN(CCO)CCc2ccc(C#N)cc2)cc(=O)n(C(C)C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC22A2 O15244 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SLC47A2 Q86VL8 1/20 0.44
▸ SLC47A1 Q96FL8 1/20 0.44
▸ P2RX3 P56373 2/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ CYP19A1 P11511 1/20 0.30
▸ MMP12 P39900 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL9389096 0.84 KCNH2 (0.64) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9428920 0.74 SLC22A2 (0.56) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9429448 0.69 SLC22A2 (0.46) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9428818 0.68 ADRB1 (0.64) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9385063 0.67 KCNH2 (0.65) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9388704 0.67 KCNH2 (0.89) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9428378 0.65 MAPK1 (0.49) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9428370 0.64 ADRB1 (0.75) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9428374 0.64 ADRB1 (0.75) SLC22A2ADRB1SLC6A4KCNH2SLC47A2
SCHEMBL9429589 0.63 ADRB1 (0.75) SLC22A2ADRB1SLC6A4KCNH2SLC47A2

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
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 — — US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 — — EP disclosed
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