SCHEMBL28697839

SCHEMBL28697839

CCCCNc1ccc(NC(=O)CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SCN5A Q14524 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ CNR1 P21554 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL181559 0.78 MAPT (0.52) GAALMNASCN5ACYP1A2MAOA
SCHEMBL11065504 0.76 PLK1 (0.51) GAACA2HDAC1HDAC2SCN5A
SCHEMBL17874906 0.76 POLB (0.61) CA1CA2POLBHDAC1HDAC2
SCHEMBL8324087 0.75 HDAC3 (0.60) CA1CA2POLBHDAC1HDAC2
SCHEMBL22407656 0.75 KDM4E (0.63) GAAPOLBTP53LMNAKDM4E
SCHEMBL22407647 0.75 KDM4E (0.63) GAAPOLBTP53LMNAKDM4E
SCHEMBL4646722 0.75 HPGD (0.53) CA1CA2CA12CA9TP53
SCHEMBL10764251 0.75 SCN5A (0.56) CA1CA2HDAC1HDAC2LMNA
SCHEMBL15061798 0.74 CA1 (0.59) GAACA1CA2POLBCA12
SCHEMBL8039353 0.74 POLB (0.73) GAACA1CA2POLBHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874561-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2025-04-25 — — CN disclosed
CN-113950471-B Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2025-01-14 — — CN disclosed
CN-113950471-A Charged ion channel blockers and methods of use thereof 诺西恩医疗公司 2022-01-18 — — CN disclosed
Send feedback