SCHEMBL27405651

SCHEMBL27405651

C/C=C\C(=C/C)C(c1ccccc1)N1CCN(C(=O)c2cncc(CN)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 8/20 0.43
▸ SCN9A Q15858 8/20 0.43
▸ MAOB P27338 1/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL31350677 0.82 MAOB (0.60) MAOBMEN1KMT2APOLBCA12
SCHEMBL27403977 0.73 NPSR1 (0.40) SCN5ASCN9AMAOBMEN1KMT2A
SCHEMBL31350758 0.73 MAOB (0.61) MAOBMEN1KMT2ACA12CA1
SCHEMBL27405653 0.69 MAOB (0.66) MAOBMEN1KMT2ACA12CA1
SCHEMBL27406841 0.68 MAOB (0.45) MAOBMEN1KMT2APOLBCA12
SCHEMBL31350822 0.68 MAOB (0.64) MAOBMEN1KMT2ACA12CA1
SCHEMBL16598663 0.68 MAOB (0.64) MAOBMEN1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL4395981 0.68 TPSAB1 (0.41) —
SCHEMBL27405655 0.68 MAOB (0.60) MAOBMEN1KMT2APOLBCA12
SCHEMBL27406350 0.68 MAOB (0.68) MAOBMEN1KMT2ACA12CA1

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
WO-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 — — WO disclosed
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