SCHEMBL9877398

SCHEMBL9877398

CCN(CC)CCCNC(=O)Cn1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 2/20 0.48
PTGIR P43119 1/20 0.46
GFER P55789 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL9877271 0.94 GFER (0.50) MEN1KMT2AGAAMAPK1KDM4E
SCHEMBL10560612 0.89 ALDH1A1 (0.48) MEN1KMT2AGAAMAPK1KDM4E
SCHEMBL9877663 0.89 PTGIR (0.47) KDM4EPTGIRGFERLMNATP53
SCHEMBL10339945 0.82 GAA (0.53) MEN1KMT2AGAAMAPK1KDM4E
SCHEMBL9876896 0.81 MEN1 (0.47) MEN1KMT2AGAAMAPK1KDM4E
SCHEMBL11484379 0.78 PTGIR (0.56) MEN1KMT2AMAPK1KDM4EPTGIR
SCHEMBL10340040 0.78 PTGS2 (0.56) MEN1KMT2AGAAMAPK1KDM4E
Ipazilide SCHEMBL635854 0.78 MAPK1 (0.55) MEN1KMT2AGAAMAPK1KDM4E
Hydrochloric Acid SCHEMBL11491105 0.77 PTGIR (0.54) MEN1KMT2AMAPK1KDM4EPTGIR
SCHEMBL9877217 0.77 ACHE (0.54) MEN1KMT2AGAAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed