SCHEMBL9877271

SCHEMBL9877271

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
GLA P06280 1/20 0.48
PTGIR P43119 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9877398 0.94 MEN1 (0.53) GFERGLAPTGIRMEN1KMT2A
SCHEMBL9877663 0.85 PTGIR (0.47) GFERPTGIRKDM4EALDH1A1AURKA
SCHEMBL10560612 0.84 ALDH1A1 (0.48) MEN1KMT2AKDM4ECYP2D6MAPK1
SCHEMBL11494877 0.78 PTGIR (0.53) PTGIRMEN1KMT2APOLBALDH1A1
SCHEMBL11484379 0.76 PTGIR (0.56) PTGIRMEN1KMT2AKDM4EMAPK1
Hydrochloric Acid SCHEMBL11492696 0.76 PTGIR (0.52) PTGIRMEN1KMT2APOLBALDH1A1
SCHEMBL9877607 0.76 KMT2A (0.49) PTGIRMEN1KMT2ACYP2D6POLB
SCHEMBL5837713 0.76 MAPK14 (0.44) GFERKDM4EMAPK1HPGDAURKA
SCHEMBL10339945 0.76 GAA (0.53) GLAMEN1KMT2AKDM4EMAPK1
SCHEMBL9876977 0.76 MEN1 (0.52) GLAPTGIRMEN1KMT2AKDM4E

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