SCHEMBL9877663

SCHEMBL9877663

CN(C)CCCNC(=O)Cn1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.47
LMNA P02545 1/20 0.45
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.42
ADK P55263 1/20 0.42
ALDH1A1 P00352 2/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
GFER P55789 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
P2RX4 Q99571 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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 0.89 MEN1 (0.53) PTGIRLMNATP53GFERKDM4E
SCHEMBL9877271 0.85 GFER (0.50) PTGIRALDH1A1AURKAAURKBGFER
SCHEMBL5837713 0.79 MAPK14 (0.44) LMNATP53AURKAAURKBGFER
SCHEMBL9877217 0.79 ACHE (0.54) PTGIRALOX15TP53ALDH1A1KDM4E
SCHEMBL10560612 0.78 ALDH1A1 (0.48) LMNATP53ALDH1A1KDM4E
SCHEMBL9877607 0.77 KMT2A (0.49) PTGIRALOX15ALDH1A1RAB9A
Fezolamine SCHEMBL5783220 0.77 PTGIR (0.58) PTGIRKDM4E
Fezolamine SCHEMBL121816 0.77 PTGIR (0.58) PTGIRKDM4E
Fezolamine SCHEMBL122598 0.76 PTGIR (0.58) PTGIRLMNAALDH1A1CYP2C19KDM4E
Fezolamine SCHEMBL122599 0.76 PTGIR (0.58) PTGIRLMNAALDH1A1CYP2C19KDM4E

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