SCHEMBL9877217

SCHEMBL9877217

O=C(Cn1cc(-c2ccccc2)c(-c2ccccc2)n1)NCCCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.48
HTR3A P46098 1/20 0.48
PTGIR P43119 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9877607 0.94 KMT2A (0.49) ACHEMAPTGAAMEN1CYP3A4
SCHEMBL9877663 0.79 PTGIR (0.47) ALOX15ALDH1A1KDM4ETP53PTGIR
SCHEMBL10359074 0.77 ACHE (0.53) ACHEMAPTGAAMEN1CYP3A4
SCHEMBL9877398 0.77 MEN1 (0.53) GAAMEN1KMT2AKDM4EPOLB
Water SCHEMBL9877617 0.77 ACHE (0.53) ACHEMAPTGAAMEN1CYP3A4
SCHEMBL9876895 0.76 TP53 (0.54) ACHEMAPTGAAMEN1CYP3A4
SCHEMBL9877271 0.76 GFER (0.50) MAPTGAAMEN1CYP2D6KMT2A
SCHEMBL5470146 0.73 OPRK1 (0.65) ACHEMEN1KMT2AALDH1A1KDM4E
SCHEMBL9877477 0.73 PTGIR (0.67) MAPTGAAMEN1ALOX15KMT2A
SCHEMBL9877032 0.70 ALDH1A1 (0.48) ACHEMAPTGAAMEN1CYP3A4

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 8 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-0388690-A1 Azole-1-alkanamides as antiarrhytmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 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-4898880-A N-(heterocycle)alkyl)-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1990-02-06 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