SCHEMBL29363863

SCHEMBL29363863

CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.61
▸ CACNA1I Q9P0X4 6/20 0.61
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCHR1 Q99705 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ CACNA1C Q13936 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
SCHEMBL18838392 1.00 KCNH2 (0.61) KCNH2CACNA1IMEN1KMT2AMCHR1
SCHEMBL18838325 0.89 KCNH2 (0.62) KCNH2CACNA1ICACNA1HCACNA1GCHRM2
SCHEMBL18838348 0.87 KCNH2 (0.48) KCNH2CACNA1IMEN1KMT2AHTR1A
SCHEMBL18838368 0.87 CARM1 (0.46) KCNH2CACNA1IMEN1KMT2AMCHR1
SCHEMBL18838388 0.87 KCNH2 (0.46) KCNH2CACNA1IHTR1AHTR7
SCHEMBL18838420 0.87 KCNH2 (0.60) KCNH2CACNA1IMEN1KMT2ACACNA1H
SCHEMBL29364658 0.87 KCNH2 (0.60) KCNH2CACNA1IMEN1KMT2ACACNA1H
SCHEMBL18838353 0.86 KCNH2 (0.48) KCNH2CACNA1IMEN1KMT2APOLB
SCHEMBL18838355 0.85 KCNH2 (0.44) KCNH2CACNA1IL3MBTL1GRM5
SCHEMBL29361679 0.85 KCNH2 (0.44) KCNH2CACNA1IL3MBTL1GRM5

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
CN-108289886-B Ion channel inhibiting compounds, pharmaceutical formulations and uses 安华赛公司 2022-01-28 — — CN disclosed
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